C144-0341 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

C144-0341 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one
C144-0341 Screening compound: 2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C144-0341
2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-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

C144-0341

Molecular Formula

C20H22FN3O2S2 (C20 H22 FN3 O2 S2)

Compound Name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H,4H,6H,7H-thieno[3,2-d]pyrimidin-4-one

IUPAC name

2-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-3H4H6H7H-thieno[32-d]pyrimidin-4-one

SMILES

O=C(CSC(N(c(cc1)ccc1F)C1=O)=NC2=C1SCC2)N1CCCCCC1

InChI

InChI=1S/C20H22FN3O2S2/c21-14-5-7-15(8-6-14)24-19(26)18-16(9-12-27-18)22-20(24)28-13-17(25)23-10-3-1-2-4-11-23/h5-8H,1-4,9-13H2

InChI Key

HUZRXSUWHFQXER-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02649779

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

419.54

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.826

Distribution Coefficient, logD

2.826

Water Solubility, LogSw

-3.10

Polar Surface Area

42.220

Acid Dissociation Constant (pKa)

27.57

Base Dissociation Constant (pKb)

4.33

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

C144-0341 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C144-0341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C144-0341?
Check Price and Availability of C144-0341, 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 C144-0341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C144-0341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C144-0341
  • 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 C144-0341 available by request