D233-0830 Screening compound: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

D233-0830 Screening compound: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide
D233-0830 Screening compound: 5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0830
5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]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

D233-0830

Molecular Formula

C19H11ClF2N4O3S2 (C19 H11 ClF2 N4 O3 S2)

Compound Name

5-chloro-N-(6-fluoro-1,3-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-N-(6-fluoro-13-benzothiazol-2-yl)-2-[(4-fluorophenyl)methanesulfonyl]pyrimidine-4-carboxamide

SMILES

O=C(c(nc(nc1)S(Cc(cc2)ccc2F)(=O)=O)c1Cl)Nc1nc(ccc(F)c2)c2s1

InChI

InChI=1S/C19H11ClF2N4O3S2/c20-13-8-23-19(31(28,29)9-10-1-3-11(21)4-2-10)25-16(13)17(27)26-18-24-14-6-5-12(22)7-15(14)30-18/h1-8H,9H2,(H,24,26,27)

InChI Key

QYNSJMFASBJCEG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06649283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.9

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.302

Distribution Coefficient, logD

4.048

Water Solubility, LogSw

-4.42

Polar Surface Area

81.269

Acid Dissociation Constant (pKa)

7.50

Base Dissociation Constant (pKb)

-2.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

D233-0830 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D233-0830 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0830?
Check Price and Availability of D233-0830, 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 D233-0830 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0830
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0830
  • 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 D233-0830 available by request