C368-0708 Screening compound: 5-amino-N-(3,5-dimethylphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0708 Screening compound: 5-amino-N-(3,5-dimethylphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0708 Screening compound: 5-amino-N-(3,5-dimethylphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0708
5-amino-N-(3,5-dimethylphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]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

C368-0708

Molecular Formula

C21H24N6O2 (C21 H24 N6 O2)

Compound Name

5-amino-N-(3,5-dimethylphenyl)-1-{[(3,5-dimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(35-dimethylphenyl)-1-{[(35-dimethylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc1cc(NC(Cn2nnc(C(Nc3cc(C)cc(C)c3)=O)c2N)=O)cc(C)c1

InChI

InChI=1S/C21H24N6O2/c1-12-5-13(2)8-16(7-12)23-18(28)11-27-20(22)19(25-26-27)21(29)24-17-9-14(3)6-15(4)10-17/h5-10H,11,22H2,1-4H3,(H,23,28)(H,24,29)

InChI Key

JKVRSWPBCQLLEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753756

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.03

Polar Surface Area

92.437

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C368-0708 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C368-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0708?
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What is the minimum amount of C368-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0708
  • 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 C368-0708 available by request