C200-1356 Screening compound: 4,5-dimethyl 1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C200-1356 Screening compound: 4,5-dimethyl 1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C200-1356 Screening compound: 4,5-dimethyl 1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1356
4,5-dimethyl 1-{[(2,4,6-trimethylphenyl)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

C200-1356

Molecular Formula

C17H20N4O5 (C17 H20 N4 O5)

Compound Name

4,5-dimethyl 1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-dimethyl 1-{[(246-trimethylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

Cc(cc1C)cc(C)c1NC(Cn1nnc(C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C17H20N4O5/c1-9-6-10(2)13(11(3)7-9)18-12(22)8-21-15(17(24)26-5)14(19-20-21)16(23)25-4/h6-7H,8H2,1-5H3,(H,18,22)

InChI Key

UUJXYKKGBDXOOO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14726024

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.37

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

1.401

Distribution Coefficient, logD

1.401

Water Solubility, LogSw

-2.09

Polar Surface Area

90.076

Acid Dissociation Constant (pKa)

12.31

Base Dissociation Constant (pKb)

0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C200-1356 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with C200-1356 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1356?
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What is the minimum amount of C200-1356 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1356
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1356
  • 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 C200-1356 available by request