8007-7102 Screening compound: N~1~-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

8007-7102 Screening compound: N~1~-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
8007-7102 Screening compound: N~1~-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-7102
N~1~-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[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

8007-7102

Molecular Formula

C25H23N3O2S2 (C25 H23 N3 O2 S2)

Compound Name

N~1~-(4-ethylphenyl)-2-[(4-oxo-3-phenyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(4-ethylphenyl)-2-({12-oxo-11-phenyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-10-yl}sulfanyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC(N1c2ccccc2)=Nc(sc2c3CCC2)c3C1=O)=O

InChI

InChI=1S/C25H23N3O2S2/c1-2-16-11-13-17(14-12-16)26-21(29)15-31-25-27-23-22(19-9-6-10-20(19)32-23)24(30)28(25)18-7-4-3-5-8-18/h3-5,7-8,11-14H,2,6,9-10,15H2,1H3,(H,26,29)

InChI Key

SWSJAHTVSVRICI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01234015

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.421

Distribution Coefficient, logD

5.421

Water Solubility, LogSw

-5.35

Polar Surface Area

48.498

Acid Dissociation Constant (pKa)

12.99

Base Dissociation Constant (pKb)

0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8007-7102 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with 8007-7102 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-7102?
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What is the minimum amount of 8007-7102 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-7102
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-7102
  • 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 8007-7102 available by request