C315-0008 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

C315-0008 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one
C315-0008 Screening compound: 2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C315-0008
2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

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

C315-0008

Molecular Formula

C20H17ClN4OS2 (C20 H17 ClN4 OS2)

Compound Name

2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H,5H,6H,7H,8H,9H-[1,2,4]triazolo[3,2-b]quinazolin-8-one

IUPAC name

2-{[(3-chlorophenyl)methyl]sulfanyl}-9-(thiophen-2-yl)-4H5H6H7H8H9H-[124]triazolo[32-b]quinazolin-8-one

SMILES

O=C(CCC1)C2=C1Nc1nc(SCc3cccc(Cl)c3)nn1C2c1cccs1

InChI

InChI=1S/C20H17ClN4OS2/c21-13-5-1-4-12(10-13)11-28-20-23-19-22-14-6-2-7-15(26)17(14)18(25(19)24-20)16-8-3-9-27-16/h1,3-5,8-10,18H,2,6-7,11H2,(H,22,23,24)/t18-/m0/s1

InChI Key

IVRVANVSQNUEOW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD09799317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.97

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.900

Distribution Coefficient, logD

4.814

Water Solubility, LogSw

-4.95

Polar Surface Area

50.085

Acid Dissociation Constant (pKa)

8.06

Base Dissociation Constant (pKb)

-0.50

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.00

C315-0008 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C315-0008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C315-0008?
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What is the minimum amount of C315-0008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C315-0008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C315-0008
  • 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 C315-0008 available by request