C337-0105 Screening compound: 4,5-diethyl 1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0105 Screening compound: 4,5-diethyl 1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0105 Screening compound: 4,5-diethyl 1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0105
4,5-diethyl 1-{[(5-chloro-2-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

C337-0105

Molecular Formula

C17H19ClN4O5 (C17 H19 ClN4 O5)

Compound Name

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

IUPAC name

45-diethyl 1-{[(5-chloro-2-methylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCOC(c1c(C(OCC)=O)nnn1CC(Nc1c(C)ccc(Cl)c1)=O)=O

InChI

InChI=1S/C17H19ClN4O5/c1-4-26-16(24)14-15(17(25)27-5-2)22(21-20-14)9-13(23)19-12-8-11(18)7-6-10(12)3/h6-8H,4-5,9H2,1-3H3,(H,19,23)

InChI Key

KLEXVQOPFVPQQP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.81

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.045

Distribution Coefficient, logD

2.044

Water Solubility, LogSw

-3.04

Polar Surface Area

89.934

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

-1.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

C337-0105 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Nervous system
Structure:
  • Pool
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with C337-0105 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0105?
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What is the minimum amount of C337-0105 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0105
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0105
  • 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 C337-0105 available by request