8015-9702 Screening compound: 3-({[3-(2-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]methyl}sulfanyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

8015-9702 Screening compound: 3-({[3-(2-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]methyl}sulfanyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione
8015-9702 Screening compound: 3-({[3-(2-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]methyl}sulfanyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-9702
3-({[3-(2-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]methyl}sulfanyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

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

8015-9702

Molecular Formula

C19H17ClN2O3S2 (C19 H17 ClN2 O3 S2)

Compound Name

3-({[3-(2-chlorophenyl)-4-oxo-3,4-dihydro-2-quinazolinyl]methyl}sulfanyl)tetrahydro-1H-1lambda~6~-thiophene-1,1-dione

IUPAC name

3-({[3-(2-chlorophenyl)-4-oxo-34-dihydroquinazolin-2-yl]methyl}sulfanyl)-1lambda6-thiolane-11-dione

SMILES

O=C(c(cccc1)c1N=C1CSC(CC2)CS2(=O)=O)N1c(cccc1)c1Cl

InChI

InChI=1S/C19H17ClN2O3S2/c20-15-6-2-4-8-17(15)22-18(11-26-13-9-10-27(24,25)12-13)21-16-7-3-1-5-14(16)19(22)23/h1-8,13H,9-12H2/t13-/m0/s1

InChI Key

PSLOLAKUHDDNHH-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD05259431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.116

Distribution Coefficient, logD

2.115

Water Solubility, LogSw

-3.11

Polar Surface Area

52.922

Acid Dissociation Constant (pKa)

20.12

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.32

8015-9702 in Drug Discovery

Included in Screening Libraries

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8015-9702 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-9702?
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What is the minimum amount of 8015-9702 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-9702
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-9702
  • 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 8015-9702 available by request