K263-0652 Screening compound: 2-{[3-(1-benzyl-4-piperidyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide

K263-0652 Screening compound: 2-{[3-(1-benzyl-4-piperidyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide
K263-0652 Screening compound: 2-{[3-(1-benzyl-4-piperidyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0652
2-{[3-(1-benzyl-4-piperidyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-cyclopentylacetamide

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

K263-0652

Molecular Formula

C29H32N4O2S2 (C29 H32 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(C1CCN(Cc2ccccc2)CC1)C1=O)=Nc2c1sc1c2cccc1)NC1CCCC1

InChI

InChI=1S/C29H32N4O2S2/c34-25(30-21-10-4-5-11-21)19-36-29-31-26-23-12-6-7-13-24(23)37-27(26)28(35)33(29)22-14-16-32(17-15-22)18-20-8-2-1-3-9-20/h1-3,6-9,12-13,21-22H,4-5,10-11,14-19H2,(H,30,34)

InChI Key

ORQAOAQDWPIGMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085582

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

532.73

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.210

Distribution Coefficient, logD

4.476

Water Solubility, LogSw

-5.53

Polar Surface Area

51.591

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

8.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.40

K263-0652 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Anti-HIV1 Library (19540 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K263-0652 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0652?
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What is the minimum amount of K263-0652 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0652
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0652
  • 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 K263-0652 available by request