C260-2789 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

C260-2789 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide
C260-2789 Screening compound: N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C260-2789
N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

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

C260-2789

Molecular Formula

C33H33ClN4O4 (C33 H33 ClN4 O4)

Compound Name

N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl]methyl}benzamide

IUPAC name

N-[(2-chlorophenyl)methyl]-4-{[1-({[2-(cyclohex-1-en-1-yl)ethyl]carbamoyl}methyl)-24-dioxo-1234-tetrahydroquinazolin-3-yl]methyl}benzamide

SMILES

O=C(CN(c(cccc1)c1C(N1Cc(cc2)ccc2C(NCc(cccc2)c2Cl)=O)=O)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C33H33ClN4O4/c34-28-12-6-4-10-26(28)20-36-31(40)25-16-14-24(15-17-25)21-38-32(41)27-11-5-7-13-29(27)37(33(38)42)22-30(39)35-19-18-23-8-2-1-3-9-23/h4-8,10-17H,1-3,9,18-22H2,(H,35,39)(H,36,40)

InChI Key

CMPSWIRXNVRNPR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14738905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

585.1

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.722

Distribution Coefficient, logD

4.722

Water Solubility, LogSw

-4.94

Polar Surface Area

80.185

Acid Dissociation Constant (pKa)

11.60

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C260-2789 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

CORONAVIRUS Library (20774 compounds)

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C260-2789 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C260-2789?
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What is the minimum amount of C260-2789 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C260-2789
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C260-2789
  • 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 C260-2789 available by request