K263-0281 Screening compound: 2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)acetamide

K263-0281 Screening compound: 2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)acetamide
K263-0281 Screening compound: 2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0281
2-({3-[2-(diethylamino)ethyl]-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)-N~1~-(3-methoxyphenyl)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

K263-0281

Molecular Formula

C25H28N4O3S2 (C25 H28 N4 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)CCN(C1=O)C(SCC(Nc2cc(OC)ccc2)=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C25H28N4O3S2/c1-4-28(5-2)13-14-29-24(31)23-22(19-11-6-7-12-20(19)34-23)27-25(29)33-16-21(30)26-17-9-8-10-18(15-17)32-3/h6-12,15H,4-5,13-14,16H2,1-3H3,(H,26,30)

InChI Key

HWLQJERZQQSDMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085397

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.65

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.718

Distribution Coefficient, logD

2.643

Water Solubility, LogSw

-4.62

Polar Surface Area

58.620

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

9.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K263-0281 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Antiviral Library (67538 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with K263-0281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0281?
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What is the minimum amount of K263-0281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0281
  • 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 K263-0281 available by request