K263-0727 Screening compound: 2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-fluorophenyl)acetamide

K263-0727 Screening compound: 2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-fluorophenyl)acetamide
K263-0727 Screening compound: 2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound K263-0727
2-{[3-(3,3-diethoxypropyl)-4-oxo-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl]sulfanyl}-N~1~-(2-fluorophenyl)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

K263-0727

Molecular Formula

C25H26FN3O4S2 (C25 H26 FN3 O4 S2)

Compound Name

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

IUPAC name

2-{[5-(33-diethoxypropyl)-6-oxo-8-thia-35-diazatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)31012-pentaen-4-yl]sulfanyl}-N-(2-fluorophenyl)acetamide

SMILES

CCOC(CCN(C1=O)C(SCC(Nc(cccc2)c2F)=O)=Nc2c1sc1c2cccc1)OCC

InChI

InChI=1S/C25H26FN3O4S2/c1-3-32-21(33-4-2)13-14-29-24(31)23-22(16-9-5-8-12-19(16)35-23)28-25(29)34-15-20(30)27-18-11-7-6-10-17(18)26/h5-12,21H,3-4,13-15H2,1-2H3,(H,27,30)

InChI Key

NFOOEXUFVBQMKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15085632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

515.63

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.315

Distribution Coefficient, logD

4.315

Water Solubility, LogSw

-4.08

Polar Surface Area

61.621

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

-0.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

K263-0727 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with K263-0727 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K263-0727?
Check Price and Availability of K263-0727, 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 K263-0727 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K263-0727
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K263-0727
  • 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 K263-0727 available by request