K263-0541 Screening compound: N~1~-benzyl-2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide

K263-0541 Screening compound: N~1~-benzyl-2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide
K263-0541 Screening compound: N~1~-benzyl-2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0541
N~1~-benzyl-2-({4-oxo-3-[3-(1-pyrrolidinyl)propyl]-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

K263-0541

Molecular Formula

C26H28N4O2S2 (C26 H28 N4 O2 S2)

Compound Name

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

IUPAC name

N-benzyl-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)acetamide

SMILES

O=C(CSC(N(CCCN1CCCC1)C1=O)=Nc2c1sc1c2cccc1)NCc1ccccc1

InChI

InChI=1S/C26H28N4O2S2/c31-22(27-17-19-9-2-1-3-10-19)18-33-26-28-23-20-11-4-5-12-21(20)34-24(23)25(32)30(26)16-8-15-29-13-6-7-14-29/h1-5,9-12H,6-8,13-18H2,(H,27,31)

InChI Key

ZLGQAMFUISSXSL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085533

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.67

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.139

Distribution Coefficient, logD

1.940

Water Solubility, LogSw

-4.17

Polar Surface Area

53.064

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

9.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

K263-0541 in Drug Discovery

Included in Screening Libraries

3CLpro Library (4801 compounds)

Antiviral Annotated Library (21441 compounds)

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

CNS targets activity set (6557 compounds)

CORONAVIRUS Library (20774 compounds)

Human GPCR Annotated Library (5539 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K263-0541 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0541?
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What is the minimum amount of K263-0541 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0541
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0541
  • 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 K263-0541 available by request