C337-0018 Screening compound: 4,5-dimethyl 1-{[(2-carbamoylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0018 Screening compound: 4,5-dimethyl 1-{[(2-carbamoylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0018 Screening compound: 4,5-dimethyl 1-{[(2-carbamoylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0018
4,5-dimethyl 1-{[(2-carbamoylphenyl)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

C337-0018

Molecular Formula

C15H15N5O6 (C15 H15 N5 O6)

Compound Name

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

IUPAC name

45-dimethyl 1-{[(2-carbamoylphenyl)carbamoyl]methyl}-1H-123-triazole-45-dicarboxylate

SMILES

COC(c1c(C(OC)=O)nnn1CC(Nc(cccc1)c1C(N)=O)=O)=O

InChI

InChI=1S/C15H15N5O6/c1-25-14(23)11-12(15(24)26-2)20(19-18-11)7-10(21)17-9-6-4-3-5-8(9)13(16)22/h3-6H,7H2,1-2H3,(H2,16,22)(H,17,21)

InChI Key

ZLNITECRPGDSHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749625

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.31

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

-0.525

Distribution Coefficient, logD

-0.525

Water Solubility, LogSw

-2.32

Polar Surface Area

124.833

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

-2.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with C337-0018 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0018?
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What is the minimum amount of C337-0018 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0018
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0018
  • 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 C337-0018 available by request