K263-0597 Screening compound: 2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide

K263-0597 Screening compound: 2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide
K263-0597 Screening compound: 2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0597
2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide

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

K263-0597

Molecular Formula

C22H21N3O3S2 (C22 H21 N3 O3 S2)

Compound Name

2-{[3-(2-hydroxyethyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide

IUPAC name

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

SMILES

OCCN(C1=O)C(SCC(NCCc2ccccc2)=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C22H21N3O3S2/c26-13-12-25-21(28)20-19(16-8-4-5-9-17(16)30-20)24-22(25)29-14-18(27)23-11-10-15-6-2-1-3-7-15/h1-9,26H,10-14H2,(H,23,27)

InChI Key

DMXXRTPHYQOCSE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.56

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.610

Distribution Coefficient, logD

2.610

Water Solubility, LogSw

-2.87

Polar Surface Area

65.484

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

K263-0597 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 K263-0597 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0597?
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What is the minimum amount of K263-0597 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0597
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0597
  • 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 K263-0597 available by request