K263-0382 Screening compound: N~1~-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

K263-0382 Screening compound: N~1~-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
K263-0382 Screening compound: N~1~-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0382
N~1~-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-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

K263-0382

Molecular Formula

C24H21N5O2S2 (C24 H21 N5 O2 S2)

Compound Name

N~1~-(5-methyl-1H-pyrazol-3-yl)-2-[(4-oxo-3-phenethyl-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide

IUPAC name

N-(5-methyl-1H-pyrazol-3-yl)-2-{[6-oxo-5-(2-phenylethyl)-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}acetamide

SMILES

Cc1cc(NC(CSC(N(CCc2ccccc2)C2=O)=Nc3c2sc2c3cccc2)=O)n[nH]1

InChI

InChI=1S/C24H21N5O2S2/c1-15-13-19(28-27-15)25-20(30)14-32-24-26-21-17-9-5-6-10-18(17)33-22(21)23(31)29(24)12-11-16-7-3-2-4-8-16/h2-10,13H,11-12,14H2,1H3,(H2,25,27,28,30)

InChI Key

LJLNHJSVMLXHAP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085428

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

475.6

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.607

Water Solubility, LogSw

-4.37

Polar Surface Area

70.528

Acid Dissociation Constant (pKa)

9.77

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

K263-0382 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with K263-0382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0382?
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What is the minimum amount of K263-0382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0382
  • 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 K263-0382 available by request