A0015821 Screening compound: N,3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

A0015821 Screening compound: N,3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
A0015821 Screening compound: N,3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015821
N,3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-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

A0015821

Molecular Formula

C30H24ClN3O2S (C30 H24 ClN3 O2 S)

Compound Name

N,3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide

IUPAC name

N3-dibenzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-4-oxo-34-dihydroquinazoline-7-carboxamide

SMILES

O=C(c(cc1)cc(N=C(N2Cc3ccccc3)SCc3cccc(Cl)c3)c1C2=O)NCc1ccccc1

InChI

InChI=1S/C30H24ClN3O2S/c31-25-13-7-12-23(16-25)20-37-30-33-27-17-24(28(35)32-18-21-8-3-1-4-9-21)14-15-26(27)29(36)34(30)19-22-10-5-2-6-11-22/h1-17H,18-20H2,(H,32,35)

InChI Key

JCUANYBIDDWCPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02648967

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

526.06

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.241

Distribution Coefficient, logD

6.241

Water Solubility, LogSw

-6.18

Polar Surface Area

50.184

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

References: we are preparing a list of scientific research reports with A0015821 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015821?
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What is the minimum amount of A0015821 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015821
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015821
  • 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 A0015821 available by request