C200-1940 Screening compound: 4,5-dimethyl 1-(2-{[(2,3-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate

C200-1940 Screening compound: 4,5-dimethyl 1-(2-{[(2,3-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate
C200-1940 Screening compound: 4,5-dimethyl 1-(2-{[(2,3-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1940
4,5-dimethyl 1-(2-{[(2,3-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-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

C200-1940

Molecular Formula

C17H19N5O6 (C17 H19 N5 O6)

Compound Name

4,5-dimethyl 1-(2-{[(2,3-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-(2-{[(23-dimethylphenyl)carbamoyl]amino}-2-oxoethyl)-1H-123-triazole-45-dicarboxylate

SMILES

Cc1cccc(NC(NC(Cn2nnc(C(OC)=O)c2C(OC)=O)=O)=O)c1C

InChI

InChI=1S/C17H19N5O6/c1-9-6-5-7-11(10(9)2)18-17(26)19-12(23)8-22-14(16(25)28-4)13(20-21-22)15(24)27-3/h5-7H,8H2,1-4H3,(H2,18,19,23,26)

InChI Key

SNVMUUHCPJVPKO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726299

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

389.37

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.417

Distribution Coefficient, logD

1.417

Water Solubility, LogSw

-2.13

Polar Surface Area

114.164

Acid Dissociation Constant (pKa)

10.46

Base Dissociation Constant (pKb)

-2.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

C200-1940 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-1940 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1940?
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What is the minimum amount of C200-1940 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1940
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1940
  • 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 C200-1940 available by request