A0015967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

A0015967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide
A0015967 Screening compound: N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015967
N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

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

A0015967

Molecular Formula

C29H28ClN3O3S (C29 H28 ClN3 O3 S)

Compound Name

N-(3-chlorophenyl)-2-[(3,3-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-phenethyl-3,4-dihydro-7-quinazolinecarboxamide

IUPAC name

N-(3-chlorophenyl)-2-[(33-dimethyl-2-oxobutyl)sulfanyl]-4-oxo-3-(2-phenylethyl)-34-dihydroquinazoline-7-carboxamide

SMILES

CC(C)(C)C(CSC(N1CCc2ccccc2)=Nc(cc(cc2)C(Nc3cccc(Cl)c3)=O)c2C1=O)=O

InChI

InChI=1S/C29H28ClN3O3S/c1-29(2,3)25(34)18-37-28-32-24-16-20(26(35)31-22-11-7-10-21(30)17-22)12-13-23(24)27(36)33(28)15-14-19-8-5-4-6-9-19/h4-13,16-17H,14-15,18H2,1-3H3,(H,31,35)

InChI Key

WRNVVYAQZRZPID-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111162

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

534.08

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

6.298

Distribution Coefficient, logD

6.289

Water Solubility, LogSw

-5.94

Polar Surface Area

62.359

Acid Dissociation Constant (pKa)

9.06

Base Dissociation Constant (pKb)

-0.66

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.14

A0015967 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with A0015967 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015967?
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What is the minimum amount of A0015967 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015967
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015967
  • 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 A0015967 available by request