C337-0186 Screening compound: 4,5-diethyl 1-{1-[(2,6-dimethylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0186 Screening compound: 4,5-diethyl 1-{1-[(2,6-dimethylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0186 Screening compound: 4,5-diethyl 1-{1-[(2,6-dimethylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0186
4,5-diethyl 1-{1-[(2,6-dimethylphenyl)carbamoyl]propyl}-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

C337-0186

Molecular Formula

C20H26N4O5 (C20 H26 N4 O5)

Compound Name

4,5-diethyl 1-{1-[(2,6-dimethylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate

IUPAC name

45-diethyl 1-{1-[(26-dimethylphenyl)carbamoyl]propyl}-1H-123-triazole-45-dicarboxylate

SMILES

CCC(C(Nc1c(C)cccc1C)=O)n1nnc(C(OCC)=O)c1C(OCC)=O

InChI

InChI=1S/C20H26N4O5/c1-6-14(18(25)21-15-12(4)10-9-11-13(15)5)24-17(20(27)29-8-3)16(22-23-24)19(26)28-7-2/h9-11,14H,6-8H2,1-5H3,(H,21,25)/t14-/m0/s1

InChI Key

CIPMLNDAMIIOEQ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04444964

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

2.744

Water Solubility, LogSw

-2.60

Polar Surface Area

89.122

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

C337-0186 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 C337-0186 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0186?
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What is the minimum amount of C337-0186 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0186
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0186
  • 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 C337-0186 available by request