A0015794 Screening compound: 3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide

A0015794 Screening compound: 3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide
A0015794 Screening compound: 3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015794
3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide

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

A0015794

Molecular Formula

C31H24ClN3O3S (C31 H24 ClN3 O3 S)

Compound Name

3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-N-[(3-chlorophenyl)methyl]-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(NCc3cccc(Cl)c3)=O)c2C1=O)c1ccccc1

InChI

InChI=1S/C31H24ClN3O3S/c32-25-13-7-10-22(16-25)18-33-29(37)24-14-15-26-27(17-24)34-31(39-20-28(36)23-11-5-2-6-12-23)35(30(26)38)19-21-8-3-1-4-9-21/h1-17H,18-20H2,(H,33,37)

InChI Key

POIZRSMBXALMQX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112256

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

554.07

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.703

Distribution Coefficient, logD

5.703

Water Solubility, LogSw

-5.88

Polar Surface Area

63.431

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.70

A0015794 in Drug Discovery

Included in Screening Libraries

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

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with A0015794 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015794?
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What is the minimum amount of A0015794 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015794
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015794
  • 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 A0015794 available by request