2969-0177 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

2969-0177 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
2969-0177 Screening compound: 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 2969-0177
2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-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

2969-0177

Molecular Formula

C23H23BrN2O2S2 (C23 H23 BrN2 O2 S2)

Compound Name

2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-cyclohexyl-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one

IUPAC name

10-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-11-cyclohexyl-7-thia-911-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)2(6)9-trien-12-one

SMILES

O=C(CSC(N1C2CCCCC2)=Nc(sc2c3CCC2)c3C1=O)c(cc1)ccc1Br

InChI

InChI=1S/C23H23BrN2O2S2/c24-15-11-9-14(10-12-15)18(27)13-29-23-25-21-20(17-7-4-8-19(17)30-21)22(28)26(23)16-5-2-1-3-6-16/h9-12,16H,1-8,13H2

InChI Key

JGGCFYDTSRYGDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01558378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

503.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.081

Distribution Coefficient, logD

6.081

Water Solubility, LogSw

-5.85

Polar Surface Area

38.428

Acid Dissociation Constant (pKa)

20.09

Base Dissociation Constant (pKb)

-2.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

2969-0177 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 2969-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of 2969-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2969-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2969-0177
  • 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 2969-0177 available by request