D731-0461 Screening compound: N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

D731-0461 Screening compound: N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide
D731-0461 Screening compound: N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0461
N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-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

D731-0461

Molecular Formula

C19H19ClN4O3 (C19 H19 ClN4 O3)

Compound Name

N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-1H-1,2,3-triazole-4-carboxamide

IUPAC name

N-(2-chloro-5-methoxyphenyl)-5-(methoxymethyl)-1-(4-methylphenyl)-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1)ccc1-n1nnc(C(Nc(cc(cc2)OC)c2Cl)=O)c1COC

InChI

InChI=1S/C19H19ClN4O3/c1-12-4-6-13(7-5-12)24-17(11-26-2)18(22-23-24)19(25)21-16-10-14(27-3)8-9-15(16)20/h4-10H,11H2,1-3H3,(H,21,25)

InChI Key

UEOKRXFQEXUPML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.84

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.485

Distribution Coefficient, logD

3.438

Water Solubility, LogSw

-3.70

Polar Surface Area

64.953

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

-2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with D731-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0461?
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What is the minimum amount of D731-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0461
  • 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 D731-0461 available by request