K263-0500 Screening compound: N~1~-(4-fluorophenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide

K263-0500 Screening compound: N~1~-(4-fluorophenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide
K263-0500 Screening compound: N~1~-(4-fluorophenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0500
N~1~-(4-fluorophenyl)-2-{[3-(3-isopropoxypropyl)-4-oxo-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

K263-0500

Molecular Formula

C24H24FN3O3S2 (C24 H24 FN3 O3 S2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)OCCCN(C1=O)C(SCC(Nc(cc2)ccc2F)=O)=Nc2c1sc1c2cccc1

InChI

InChI=1S/C24H24FN3O3S2/c1-15(2)31-13-5-12-28-23(30)22-21(18-6-3-4-7-19(18)33-22)27-24(28)32-14-20(29)26-17-10-8-16(25)9-11-17/h3-4,6-11,15H,5,12-14H2,1-2H3,(H,26,29)

InChI Key

YJHDWFQFXKKBHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

485.6

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

4.633

Distribution Coefficient, logD

4.633

Water Solubility, LogSw

-4.19

Polar Surface Area

54.866

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

-0.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.20

K263-0500 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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 K263-0500 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0500?
Check Price and Availability of K263-0500, 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 K263-0500 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0500
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0500
  • 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 K263-0500 available by request