C200-5865 Screening compound: (4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

C200-5865 Screening compound: (4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate
C200-5865 Screening compound: (4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5865
(4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

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

C200-5865

Molecular Formula

C18H15ClFN3O2 (C18 H15 ClFN3 O2)

Compound Name

(4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-1,2,3-triazole-4-carboxylate

IUPAC name

(4-fluorophenyl)methyl 1-(3-chloro-4-methylphenyl)-5-methyl-1H-123-triazole-4-carboxylate

SMILES

Cc1c(C(OCc(cc2)ccc2F)=O)nnn1-c1cc(Cl)c(C)cc1

InChI

InChI=1S/C18H15ClFN3O2/c1-11-3-8-15(9-16(11)19)23-12(2)17(21-22-23)18(24)25-10-13-4-6-14(20)7-5-13/h3-9H,10H2,1-2H3

InChI Key

BVXAPXDUVMUWEE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09981344

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.79

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.275

Distribution Coefficient, logD

4.275

Water Solubility, LogSw

-4.43

Polar Surface Area

47.939

Acid Dissociation Constant (pKa)

21.34

Base Dissociation Constant (pKb)

-3.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C200-5865 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C200-5865 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5865?
Check Price and Availability of C200-5865, 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 C200-5865 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5865
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5865
  • 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 C200-5865 available by request