C337-0223 Screening compound: 1-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid

C337-0223 Screening compound: 1-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid
C337-0223 Screening compound: 1-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0223
1-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid

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

C337-0223

Molecular Formula

C14H13ClN4O7 (C14 H13 ClN4 O7)

Compound Name

1-{[(5-chloro-2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid

IUPAC name

1-{[(5-chloro-24-dimethoxyphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylic acid

SMILES

COc(c(NC(Cn1nnc(C(O)=O)c1C(O)=O)=O)c1)cc(OC)c1Cl

InChI

InChI=1S/C14H13ClN4O7/c1-25-8-4-9(26-2)7(3-6(8)15)16-10(20)5-19-12(14(23)24)11(13(21)22)17-18-19/h3-4H,5H2,1-2H3,(H,16,20)(H,21,22)(H,23,24)

InChI Key

OJKSMDIFZAXMRR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05717632

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.73

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.283

Distribution Coefficient, logD

-6.376

Water Solubility, LogSw

-2.27

Polar Surface Area

120.503

Acid Dissociation Constant (pKa)

1.31

Base Dissociation Constant (pKb)

0.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C337-0223 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C337-0223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0223?
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What is the minimum amount of C337-0223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0223
  • 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 C337-0223 available by request