C368-0369 Screening compound: 5-amino-1-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

C368-0369 Screening compound: 5-amino-1-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
C368-0369 Screening compound: 5-amino-1-{[(2,3-dimethylphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0369
5-amino-1-{[(2,3-dimethylphenyl)carbamoyl]methyl}-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

C368-0369

Molecular Formula

C21H24N6O3 (C21 H24 N6 O3)

Compound Name

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

IUPAC name

5-amino-1-{[(23-dimethylphenyl)carbamoyl]methyl}-N-[(2-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

Cc1cccc(NC(Cn2nnc(C(NCc(cccc3)c3OC)=O)c2N)=O)c1C

InChI

InChI=1S/C21H24N6O3/c1-13-7-6-9-16(14(13)2)24-18(28)12-27-20(22)19(25-26-27)21(29)23-11-15-8-4-5-10-17(15)30-3/h4-10H,11-12,22H2,1-3H3,(H,23,29)(H,24,28)

InChI Key

ZVQQYDKTOKDQLN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753682

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

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.132

Distribution Coefficient, logD

2.132

Water Solubility, LogSw

-2.65

Polar Surface Area

100.692

Acid Dissociation Constant (pKa)

12.83

Base Dissociation Constant (pKb)

1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C368-0369 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 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 C368-0369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0369?
Check Price and Availability of C368-0369, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C368-0369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0369
  • 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 C368-0369 available by request