C337-0277 Screening compound: 4,5-dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0277 Screening compound: 4,5-dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0277 Screening compound: 4,5-dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0277
4,5-dimethyl 1-(5-chloro-2-methoxyphenyl)-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

C337-0277

Molecular Formula

C13H12ClN3O5 (C13 H12 ClN3 O5)

Compound Name

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

IUPAC name

45-dimethyl 1-(5-chloro-2-methoxyphenyl)-1H-123-triazole-45-dicarboxylate

SMILES

COC(c1c(C(OC)=O)nnn1-c(cc(cc1)Cl)c1OC)=O

InChI

InChI=1S/C13H12ClN3O5/c1-20-9-5-4-7(14)6-8(9)17-11(13(19)22-3)10(15-16-17)12(18)21-2/h4-6H,1-3H3

InChI Key

LHYFHQJWPNILPS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06745432

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

325.71

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.758

Distribution Coefficient, logD

1.758

Water Solubility, LogSw

-2.54

Polar Surface Area

75.788

Acid Dissociation Constant (pKa)

32.08

Base Dissociation Constant (pKb)

-3.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

C337-0277 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

GABA Library (7115 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Eye
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C337-0277 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0277?
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What is the minimum amount of C337-0277 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0277
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0277
  • 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 C337-0277 available by request