K263-0027 Screening compound: 9-fluoro-3-(4-methoxybenzyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

K263-0027 Screening compound: 9-fluoro-3-(4-methoxybenzyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
K263-0027 Screening compound: 9-fluoro-3-(4-methoxybenzyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0027
9-fluoro-3-(4-methoxybenzyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

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

K263-0027

Molecular Formula

C24H22FN3O3S2 (C24 H22 FN3 O3 S2)

Compound Name

9-fluoro-3-(4-methoxybenzyl)-2-{[2-oxo-2-(1-pyrrolidinyl)ethyl]sulfanyl}[1]benzothieno[3,2-d]pyrimidin-4(3H)-one

IUPAC name

13-fluoro-5-[(4-methoxyphenyl)methyl]-4-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-6-one

SMILES

COc1ccc(CN(C2=O)C(SCC(N3CCCC3)=O)=Nc3c2sc2c3c(F)ccc2)cc1

InChI

InChI=1S/C24H22FN3O3S2/c1-31-16-9-7-15(8-10-16)13-28-23(30)22-21(20-17(25)5-4-6-18(20)33-22)26-24(28)32-14-19(29)27-11-2-3-12-27/h4-10H,2-3,11-14H2,1H3

InChI Key

OBXZLHSHBBMKHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.59

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.715

Distribution Coefficient, logD

4.715

Water Solubility, LogSw

-4.55

Polar Surface Area

48.568

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-0.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K263-0027 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with K263-0027 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0027?
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What is the minimum amount of K263-0027 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0027
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0027
  • 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 K263-0027 available by request