8009-7512 Screening compound: 2-{[3-(1-naphthyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

8009-7512 Screening compound: 2-{[3-(1-naphthyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide
8009-7512 Screening compound: 2-{[3-(1-naphthyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7512
2-{[3-(1-naphthyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

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

8009-7512

Molecular Formula

C22H19N3O2S2 (C22 H19 N3 O2 S2)

Compound Name

2-{[3-(1-naphthyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetamide

IUPAC name

2-{[4-(naphthalen-1-yl)-3-oxo-8-thia-46-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)5-trien-5-yl]sulfanyl}acetamide

SMILES

NC(CSC(N1c2cccc3ccccc23)=Nc(sc2c3CCCC2)c3C1=O)=O

InChI

InChI=1S/C22H19N3O2S2/c23-18(26)12-28-22-24-20-19(15-9-3-4-11-17(15)29-20)21(27)25(22)16-10-5-7-13-6-1-2-8-14(13)16/h1-2,5-8,10H,3-4,9,11-12H2,(H2,23,26)

InChI Key

JFXOHNUAJCBSST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01409637

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.118

Distribution Coefficient, logD

4.118

Water Solubility, LogSw

-4.57

Polar Surface Area

58.069

Acid Dissociation Constant (pKa)

15.95

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.73

8009-7512 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8009-7512 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7512?
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What is the minimum amount of 8009-7512 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7512
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7512
  • 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 8009-7512 available by request