D731-0504F Screening compound: N-(2-chlorophenyl)-1-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide

D731-0504F Screening compound: N-(2-chlorophenyl)-1-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide
D731-0504F Screening compound: N-(2-chlorophenyl)-1-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0504F
N-(2-chlorophenyl)-1-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide

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

D731-0504F

Molecular Formula

C19H19ClN4O2 (C19 H19 ClN4 O2)

Compound Name

N-(2-chlorophenyl)-1-(3,5-dimethylphenyl)-5-(methoxymethyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-chlorophenyl)-1-(35-dimethylphenyl)-5-(methoxymethyl)-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(-n2nnc(C(Nc(cccc3)c3Cl)=O)c2COC)cc(C)c1

InChI

InChI=1S/C19H19ClN4O2/c1-12-8-13(2)10-14(9-12)24-17(11-26-3)18(22-23-24)19(25)21-16-7-5-4-6-15(16)20/h4-10H,11H2,1-3H3,(H,21,25)

InChI Key

LRVDZNQGNYTDRZ-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

370.84

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.813

Distribution Coefficient, logD

3.808

Water Solubility, LogSw

-4.05

Polar Surface Area

57.409

Acid Dissociation Constant (pKa)

9.32

Base Dissociation Constant (pKb)

-2.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D731-0504F chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0504F?
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What is the minimum amount of D731-0504F you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0504F
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0504F
  • 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 D731-0504F available by request