C368-0644 Screening compound: 5-amino-N-(3-methoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0644 Screening compound: 5-amino-N-(3-methoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0644 Screening compound: 5-amino-N-(3-methoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0644
5-amino-N-(3-methoxyphenyl)-1-{[(2,4,6-trimethylphenyl)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

C368-0644

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

5-amino-N-(3-methoxyphenyl)-1-{[(2,4,6-trimethylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-N-(3-methoxyphenyl)-1-{[(246-trimethylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

Cc(cc1C)cc(C)c1NC(Cn1nnc(C(Nc2cc(OC)ccc2)=O)c1N)=O

InChI

InChI=1S/C21H24N6O3/c1-12-8-13(2)18(14(3)9-12)24-17(28)11-27-20(22)19(25-26-27)21(29)23-15-6-5-7-16(10-15)30-4/h5-10H,11,22H2,1-4H3,(H,23,29)(H,24,28)

InChI Key

MFAXZDKSPXMIIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753730

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.268

Distribution Coefficient, logD

2.268

Water Solubility, LogSw

-2.76

Polar Surface Area

98.585

Acid Dissociation Constant (pKa)

11.42

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C368-0644 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C368-0644 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0644?
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What is the minimum amount of C368-0644 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0644
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0644
  • 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 C368-0644 available by request