K263-0543 Screening compound: 2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-phenethylacetamide

K263-0543 Screening compound: 2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-phenethylacetamide
K263-0543 Screening compound: 2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-phenethylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0543
2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-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

K263-0543

Molecular Formula

C27H30N4O2S2 (C27 H30 N4 O2 S2)

Compound Name

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

IUPAC name

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

SMILES

O=C(CSC(N(CCCN1CCCC1)C1=O)=Nc2c1sc1c2cccc1)NCCc1ccccc1

InChI

InChI=1S/C27H30N4O2S2/c32-23(28-14-13-20-9-2-1-3-10-20)19-34-27-29-24-21-11-4-5-12-22(21)35-25(24)26(33)31(27)18-8-17-30-15-6-7-16-30/h1-5,9-12H,6-8,13-19H2,(H,28,32)

InChI Key

XTYKTZLWMLIAOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04444842

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.69

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

3.914

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-4.08

Polar Surface Area

52.906

Acid Dissociation Constant (pKa)

14.88

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.00

K263-0543 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

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

CORONAVIRUS Library (20774 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K263-0543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0543?
Check Price and Availability of K263-0543, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K263-0543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0543
  • 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 K263-0543 available by request