C337-0287 Screening compound: 4,5-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0287 Screening compound: 4,5-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0287 Screening compound: 4,5-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0287
4,5-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate

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

C337-0287

Molecular Formula

C12H9ClFN3O4 (C12 H9 ClFN3 O4)

Compound Name

4,5-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-(3-chloro-4-fluorophenyl)-1H-123-triazole-45-dicarboxylate

SMILES

COC(c1c(C(OC)=O)nnn1-c(cc1)cc(Cl)c1F)=O

InChI

InChI=1S/C12H9ClFN3O4/c1-20-11(18)9-10(12(19)21-2)17(16-15-9)6-3-4-8(14)7(13)5-6/h3-5H,1-2H3

InChI Key

CDTQPIROJRNJKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00068200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

313.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.963

Distribution Coefficient, logD

1.963

Water Solubility, LogSw

-2.80

Polar Surface Area

68.459

Acid Dissociation Constant (pKa)

32.79

Base Dissociation Constant (pKb)

-4.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C337-0287 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Antiviral Library (67538 compounds)

Dark Chemical Matter Library (18430 compounds)

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

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Nervous system
Agro:
  • Agro
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C337-0287 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0287?
Check Price and Availability of C337-0287, 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 C337-0287 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0287
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0287
  • 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 C337-0287 available by request