K284-3269 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)butanamide

K284-3269 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)butanamide
K284-3269 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K284-3269
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)butanamide

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

K284-3269

Molecular Formula

C29H30N4O6S (C29 H30 N4 O6 S)

Compound Name

N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazolin-3-yl)butanamide

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-4-(2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazolin-3-yl)butanamide

SMILES

COc(ccc(CCNC(CCCN1C(SCc2cc([N+]([O-])=O)ccc2)=Nc(cccc2)c2C1=O)=O)c1)c1OC

InChI

InChI=1S/C29H30N4O6S/c1-38-25-13-12-20(18-26(25)39-2)14-15-30-27(34)11-6-16-32-28(35)23-9-3-4-10-24(23)31-29(32)40-19-21-7-5-8-22(17-21)33(36)37/h3-5,7-10,12-13,17-18H,6,11,14-16,19H2,1-2H3,(H,30,34)

InChI Key

NTEIBIPMQUDEOA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05024553

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.65

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.811

Distribution Coefficient, logD

2.811

Water Solubility, LogSw

-3.62

Polar Surface Area

98.705

Acid Dissociation Constant (pKa)

14.38

Base Dissociation Constant (pKb)

0.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

K284-3269 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with K284-3269 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K284-3269?
Check Price and Availability of K284-3269, 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 K284-3269 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K284-3269
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K284-3269
  • 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 K284-3269 available by request