A0015693 Screening compound: ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

A0015693 Screening compound: ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate
A0015693 Screening compound: ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound A0015693
ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

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

A0015693

Molecular Formula

C27H24ClN3O4S (C27 H24 ClN3 O4 S)

Compound Name

ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]acetate

IUPAC name

ethyl 2-[(3-benzyl-7-{[(2-chlorophenyl)methyl]carbamoyl}-4-oxo-34-dihydroquinazolin-2-yl)sulfanyl]acetate

SMILES

CCOC(CSC(N1Cc2ccccc2)=Nc(cc(cc2)C(NCc(cccc3)c3Cl)=O)c2C1=O)=O

InChI

InChI=1S/C27H24ClN3O4S/c1-2-35-24(32)17-36-27-30-23-14-19(25(33)29-15-20-10-6-7-11-22(20)28)12-13-21(23)26(34)31(27)16-18-8-4-3-5-9-18/h3-14H,2,15-17H2,1H3,(H,29,33)

InChI Key

NDVKIPRBJDZILF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02112236

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

522.02

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.977

Distribution Coefficient, logD

4.977

Water Solubility, LogSw

-4.98

Polar Surface Area

70.615

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

0.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.50

A0015693 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 A0015693 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound A0015693?
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What is the minimum amount of A0015693 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for A0015693
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for A0015693
  • 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 A0015693 available by request