C337-0209 Screening compound: 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid

C337-0209 Screening compound: 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid
C337-0209 Screening compound: 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0209
1-{[(3-fluoro-4-methylphenyl)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

C337-0209

Molecular Formula

C13H11FN4O5 (C13 H11 FN4 O5)

Compound Name

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

IUPAC name

1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylic acid

SMILES

Cc(ccc(NC(Cn1nnc(C(O)=O)c1C(O)=O)=O)c1)c1F

InChI

InChI=1S/C13H11FN4O5/c1-6-2-3-7(4-8(6)14)15-9(19)5-18-11(13(22)23)10(12(20)21)16-17-18/h2-4H,5H2,1H3,(H,15,19)(H,20,21)(H,22,23)

InChI Key

VZAWIGZQFHUOAJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.25

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.068

Distribution Coefficient, logD

-6.025

Water Solubility, LogSw

-1.94

Polar Surface Area

105.940

Acid Dissociation Constant (pKa)

1.31

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

C337-0209 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 C337-0209 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0209?
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What is the minimum amount of C337-0209 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0209
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0209
  • 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 C337-0209 available by request