C200-4602 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide

C200-4602 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide
C200-4602 Screening compound: N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-4602
N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide

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

C200-4602

Molecular Formula

C18H11BrClFN6OS (C18 H11 BrClFN6 OS)

Compound Name

N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]-1,2,4-thiadiazol-5-yl}-4-chlorobenzamide

IUPAC name

N-{3-[1-(4-bromo-2-fluorophenyl)-5-methyl-1H-123-triazol-4-yl]-124-thiadiazol-5-yl}-4-chlorobenzamide

SMILES

Cc1c(-c2nsc(NC(c(cc3)ccc3Cl)=O)n2)nnn1-c(ccc(Br)c1)c1F

InChI

InChI=1S/C18H11BrClFN6OS/c1-9-15(24-26-27(9)14-7-4-11(19)8-13(14)21)16-22-18(29-25-16)23-17(28)10-2-5-12(20)6-3-10/h2-8H,1H3,(H,22,23,25,28)

InChI Key

REKOVOIWZFVEQG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14727473

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.75

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.873

Distribution Coefficient, logD

4.838

Water Solubility, LogSw

-4.98

Polar Surface Area

70.459

Acid Dissociation Constant (pKa)

8.48

Base Dissociation Constant (pKb)

-0.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C200-4602 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C200-4602 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-4602?
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What is the minimum amount of C200-4602 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-4602
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-4602
  • 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 C200-4602 available by request