D731-0494 Screening compound: 1-(3,5-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

D731-0494 Screening compound: 1-(3,5-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
D731-0494 Screening compound: 1-(3,5-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D731-0494
1-(3,5-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-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

D731-0494

Molecular Formula

C21H24N4O3 (C21 H24 N4 O3)

Compound Name

1-(3,5-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

1-(35-dimethylphenyl)-5-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(-n2nnc(C(NCc(cccc3)c3OC)=O)c2COC)cc(C)c1

InChI

InChI=1S/C21H24N4O3/c1-14-9-15(2)11-17(10-14)25-18(13-27-3)20(23-24-25)21(26)22-12-16-7-5-6-8-19(16)28-4/h5-11H,12-13H2,1-4H3,(H,22,26)

InChI Key

QCCMRPZWDPSHNB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09874374

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.376

Distribution Coefficient, logD

3.376

Water Solubility, LogSw

-3.54

Polar Surface Area

67.059

Acid Dissociation Constant (pKa)

11.70

Base Dissociation Constant (pKb)

-2.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with D731-0494 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D731-0494?
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What is the minimum amount of D731-0494 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D731-0494
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D731-0494
  • 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 D731-0494 available by request