D233-0871 Screening compound: 5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

D233-0871 Screening compound: 5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide
D233-0871 Screening compound: 5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D233-0871
5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-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

D233-0871

Molecular Formula

C17H16ClN5O3S2 (C17 H16 ClN5 O3 S2)

Compound Name

5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]pyrimidine-4-carboxamide

IUPAC name

5-chloro-2-phenylmethanesulfonyl-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]pyrimidine-4-carboxamide

SMILES

CC(C)c1nnc(NC(c(nc(nc2)S(Cc3ccccc3)(=O)=O)c2Cl)=O)s1

InChI

InChI=1S/C17H16ClN5O3S2/c1-10(2)15-22-23-16(27-15)21-14(24)13-12(18)8-19-17(20-13)28(25,26)9-11-6-4-3-5-7-11/h3-8,10H,9H2,1-2H3,(H,21,23,24)

InChI Key

FRPHBGGZDJABEY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07427573

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.432

Distribution Coefficient, logD

0.482

Water Solubility, LogSw

-3.70

Polar Surface Area

95.052

Acid Dissociation Constant (pKa)

4.45

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

D233-0871 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 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
  • Nervous system
Targets:
  • Kinases
  • Others
  • Ion Channels
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D233-0871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D233-0871?
Check Price and Availability of D233-0871, 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 D233-0871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D233-0871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D233-0871
  • 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 D233-0871 available by request