D054-0363 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

D054-0363 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide
D054-0363 Screening compound: 5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D054-0363
5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

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

D054-0363

Molecular Formula

C14H10ClFN4OS2 (C14 H10 ClFN4 OS2)

Compound Name

5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-1,3-benzothiazol-2-yl)pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-(ethylsulfanyl)-N-(6-fluoro-13-benzothiazol-2-yl)pyrimidine-4-carboxamide

SMILES

CCSc(nc1)nc(C(Nc2nc(ccc(F)c3)c3s2)=O)c1Cl

InChI

InChI=1S/C14H10ClFN4OS2/c1-2-22-13-17-6-8(15)11(19-13)12(21)20-14-18-9-4-3-7(16)5-10(9)23-14/h3-6H,2H2,1H3,(H,18,20,21)

InChI Key

MNNUVUUVKGHRDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06646618

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.657

Distribution Coefficient, logD

4.631

Water Solubility, LogSw

-4.76

Polar Surface Area

51.676

Acid Dissociation Constant (pKa)

8.61

Base Dissociation Constant (pKb)

-2.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D054-0363 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D054-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D054-0363?
Check Price and Availability of D054-0363, 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 D054-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D054-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D054-0363
  • 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 D054-0363 available by request