C337-0182 Screening compound: 4,5-diethyl 1-{1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate

C337-0182 Screening compound: 4,5-diethyl 1-{1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate
C337-0182 Screening compound: 4,5-diethyl 1-{1-[(5-chloro-2-methylphenyl)carbamoyl]propyl}-1H-1,2,3-triazole-4,5-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C337-0182
4,5-diethyl 1-{1-[(5-chloro-2-methylphenyl)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

C337-0182

Molecular Formula

C19H23ClN4O5 (C19 H23 ClN4 O5)

Compound Name

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

IUPAC name

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

SMILES

CCC(C(Nc1c(C)ccc(Cl)c1)=O)n1nnc(C(OCC)=O)c1C(OCC)=O

InChI

InChI=1S/C19H23ClN4O5/c1-5-14(17(25)21-13-10-12(20)9-8-11(13)4)24-16(19(27)29-7-3)15(22-23-24)18(26)28-6-2/h8-10,14H,5-7H2,1-4H3,(H,21,25)/t14-/m0/s1

InChI Key

BFBYVUAUTHMSRN-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD04444962

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

422.87

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

3.125

Distribution Coefficient, logD

3.124

Water Solubility, LogSw

-3.42

Polar Surface Area

89.820

Acid Dissociation Constant (pKa)

10.35

Base Dissociation Constant (pKb)

-1.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

C337-0182 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C337-0182 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C337-0182?
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What is the minimum amount of C337-0182 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C337-0182
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C337-0182
  • 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 C337-0182 available by request