K263-0678 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide

K263-0678 Screening compound: 2-[(3-butyl-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl)sulfanyl]-N~1~-(3-methoxyphenyl)acetamide
K263-0678 Screening compound: 2-[(3-butyl-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 K263-0678
2-[(3-butyl-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

K263-0678

Molecular Formula

C23H23N3O3S2 (C23 H23 N3 O3 S2)

Compound Name

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

IUPAC name

2-({5-butyl-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

CCCCN(C1=O)C(SCC(Nc2cc(OC)ccc2)=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C23H23N3O3S2/c1-3-4-12-26-22(28)21-20(17-10-5-6-11-18(17)31-21)25-23(26)30-14-19(27)24-15-8-7-9-16(13-15)29-2/h5-11,13H,3-4,12,14H2,1-2H3,(H,24,27)

InChI Key

PQWWTHOWYOHZSM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085600

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.266

Distribution Coefficient, logD

5.266

Water Solubility, LogSw

-5.25

Polar Surface Area

55.209

Acid Dissociation Constant (pKa)

12.04

Base Dissociation Constant (pKb)

-0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

K263-0678 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with K263-0678 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0678?
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What is the minimum amount of K263-0678 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0678
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0678
  • 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 K263-0678 available by request