K284-4492 Screening compound: ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate

K284-4492 Screening compound: ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate
K284-4492 Screening compound: ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-4492
ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

K284-4492

Molecular Formula

C35H38N4O5S (C35 H38 N4 O5 S)

Compound Name

ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate

IUPAC name

ethyl 4-(2-{[4-oxo-3-({4-[(2-phenylethyl)carbamoyl]cyclohexyl}methyl)-34-dihydroquinazolin-2-yl]sulfanyl}acetamido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(CSC(N1CC(CC2)CCC2C(NCCc2ccccc2)=O)=Nc(cccc2)c2C1=O)=O)=O

InChI

InChI=1S/C35H38N4O5S/c1-2-44-34(43)27-16-18-28(19-17-27)37-31(40)23-45-35-38-30-11-7-6-10-29(30)33(42)39(35)22-25-12-14-26(15-13-25)32(41)36-21-20-24-8-4-3-5-9-24/h3-11,16-19,25-26H,2,12-15,20-23H2,1H3,(H,36,41)(H,37,40)

InChI Key

NPQZVXVQRQZRSS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15088294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

626.78

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

5.696

Distribution Coefficient, logD

5.696

Water Solubility, LogSw

-5.44

Polar Surface Area

94.121

Acid Dissociation Constant (pKa)

11.33

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.30

K284-4492 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with K284-4492 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-4492?
Check Price and Availability of K284-4492, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K284-4492 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-4492
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-4492
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of K284-4492 available by request