K263-0458 Screening compound: 2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide

K263-0458 Screening compound: 2-{[3-(3-methoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-phenethylacetamide
K263-0458 Screening compound: 2-{[3-(3-methoxypropyl)-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 K263-0458
2-{[3-(3-methoxypropyl)-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

K263-0458

Molecular Formula

C24H25N3O3S2 (C24 H25 N3 O3 S2)

Compound Name

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

IUPAC name

2-{[5-(3-methoxypropyl)-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

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

InChI

InChI=1S/C24H25N3O3S2/c1-30-15-7-14-27-23(29)22-21(18-10-5-6-11-19(18)32-22)26-24(27)31-16-20(28)25-13-12-17-8-3-2-4-9-17/h2-6,8-11H,7,12-16H2,1H3,(H,25,28)

InChI Key

HBSIPHACYRXLGX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445163

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.61

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.586

Distribution Coefficient, logD

3.586

Water Solubility, LogSw

-3.83

Polar Surface Area

57.171

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

-0.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with K263-0458 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0458?
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What is the minimum amount of K263-0458 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0458
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0458
  • 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 K263-0458 available by request