K263-0680 Screening compound: 2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-fluorophenyl)acetamide

K263-0680 Screening compound: 2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-fluorophenyl)acetamide
K263-0680 Screening compound: 2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0680
2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-fluorophenyl)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

K263-0680

Molecular Formula

C24H22FN3O2S2 (C24 H22 FN3 O2 S2)

Compound Name

2-[(3-cyclohexyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(4-fluorophenyl)acetamide

IUPAC name

2-({5-cyclohexyl-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl}sulfanyl)-N-(4-fluorophenyl)acetamide

SMILES

O=C(CSC(N(C1CCCCC1)C1=O)=Nc2c1sc1c2cccc1)Nc(cc1)ccc1F

InChI

InChI=1S/C24H22FN3O2S2/c25-15-10-12-16(13-11-15)26-20(29)14-31-24-27-21-18-8-4-5-9-19(18)32-22(21)23(30)28(24)17-6-2-1-3-7-17/h4-5,8-13,17H,1-3,6-7,14H2,(H,26,29)

InChI Key

HWJZUZPCPVWNCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.599

Distribution Coefficient, logD

5.599

Water Solubility, LogSw

-5.93

Polar Surface Area

46.637

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K263-0680 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0680 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0680?
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What is the minimum amount of K263-0680 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0680
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0680
  • 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 K263-0680 available by request