K263-0616 Screening compound: N~1~-cyclopentyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

K263-0616 Screening compound: N~1~-cyclopentyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
K263-0616 Screening compound: N~1~-cyclopentyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0616
N~1~-cyclopentyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-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

K263-0616

Molecular Formula

C27H26N4O2S2 (C27 H26 N4 O2 S2)

Compound Name

N~1~-cyclopentyl-2-({3-[2-(1H-indol-3-yl)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

IUPAC name

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

SMILES

O=C(CSC(N(CCc1c[nH]c2c1cccc2)C1=O)=Nc2c1sc1c2cccc1)NC1CCCC1

InChI

InChI=1S/C27H26N4O2S2/c32-23(29-18-7-1-2-8-18)16-34-27-30-24-20-10-4-6-12-22(20)35-25(24)26(33)31(27)14-13-17-15-28-21-11-5-3-9-19(17)21/h3-6,9-12,15,18,28H,1-2,7-8,13-14,16H2,(H,29,32)

InChI Key

DITLQVIQSULRSN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04445218

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.66

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.178

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.46

Polar Surface Area

58.678

Acid Dissociation Constant (pKa)

16.64

Base Dissociation Constant (pKb)

0.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.60

K263-0616 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

CORONAVIRUS Library (20774 compounds)

GPCR Targeted Library (31838 compounds)

MCL1 Targeted Library (12200 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K263-0616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0616?
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What is the minimum amount of K263-0616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0616
  • 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 K263-0616 available by request