A0015796 Screening compound: 3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide

A0015796 Screening compound: 3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide
A0015796 Screening compound: 3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015796
3-benzyl-N-(3,5-dimethylphenyl)-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

A0015796

Molecular Formula

C32H27N3O3S (C32 H27 N3 O3 S)

Compound Name

3-benzyl-N-(3,5-dimethylphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

3-benzyl-N-(35-dimethylphenyl)-4-oxo-2-[(2-oxo-2-phenylethyl)sulfanyl]-34-dihydroquinazoline-7-carboxamide

SMILES

Cc1cc(NC(c(cc2)cc(N=C(N3Cc4ccccc4)SCC(c4ccccc4)=O)c2C3=O)=O)cc(C)c1

InChI

InChI=1S/C32H27N3O3S/c1-21-15-22(2)17-26(16-21)33-30(37)25-13-14-27-28(18-25)34-32(39-20-29(36)24-11-7-4-8-12-24)35(31(27)38)19-23-9-5-3-6-10-23/h3-18H,19-20H2,1-2H3,(H,33,37)

InChI Key

CEIRCSFSNKHXOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

533.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.033

Distribution Coefficient, logD

6.033

Water Solubility, LogSw

-5.46

Polar Surface Area

62.109

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-0.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

References: we are preparing a list of scientific research reports with A0015796 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015796?
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What is the minimum amount of A0015796 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015796
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015796
  • 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 A0015796 available by request