C200-1426 Screening compound: 4,5-dimethyl 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C200-1426 Screening compound: 4,5-dimethyl 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C200-1426 Screening compound: 4,5-dimethyl 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1426
4,5-dimethyl 1-{[(3-fluoro-4-methylphenyl)carbamoyl]methyl}-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

C200-1426

Molecular Formula

C15H15FN4O5 (C15 H15 FN4 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H15FN4O5/c1-8-4-5-9(6-10(8)16)17-11(21)7-20-13(15(23)25-3)12(18-19-20)14(22)24-2/h4-6H,7H2,1-3H3,(H,17,21)

InChI Key

GZBBBMGAAODKCJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726060

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.31

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.537

Distribution Coefficient, logD

1.537

Water Solubility, LogSw

-2.23

Polar Surface Area

91.472

Acid Dissociation Constant (pKa)

10.91

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

C200-1426 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with C200-1426 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1426?
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What is the minimum amount of C200-1426 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1426
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1426
  • 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 C200-1426 available by request