C337-0006 Screening compound: 4,5-dimethyl 1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0006 Screening compound: 4,5-dimethyl 1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0006 Screening compound: 4,5-dimethyl 1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0006
4,5-dimethyl 1-{[(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

C337-0006

Molecular Formula

C15H16N4O5 (C15 H16 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1NC(Cn1nnc(C(OC)=O)c1C(OC)=O)=O

InChI

InChI=1S/C15H16N4O5/c1-9-6-4-5-7-10(9)16-11(20)8-19-13(15(22)24-3)12(17-18-19)14(21)23-2/h4-7H,8H2,1-3H3,(H,16,20)

InChI Key

JWAAHXZVXPWRCB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.32

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

0.682

Distribution Coefficient, logD

0.682

Water Solubility, LogSw

-2.00

Polar Surface Area

90.774

Acid Dissociation Constant (pKa)

12.67

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

References: we are preparing a list of scientific research reports with C337-0006 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0006?
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What is the minimum amount of C337-0006 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0006
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0006
  • 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 C337-0006 available by request