C368-0761 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0761 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0761 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0761
5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(2-methylphenyl)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

C368-0761

Molecular Formula

C24H30N6O4 (C24 H30 N6 O4)

Compound Name

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

IUPAC name

5-amino-N-[2-(34-diethoxyphenyl)ethyl]-1-{[(2-methylphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

CCOc(ccc(CCNC(c1c(N)n(CC(Nc2c(C)cccc2)=O)nn1)=O)c1)c1OCC

InChI

InChI=1S/C24H30N6O4/c1-4-33-19-11-10-17(14-20(19)34-5-2)12-13-26-24(32)22-23(25)30(29-28-22)15-21(31)27-18-9-7-6-8-16(18)3/h6-11,14H,4-5,12-13,15,25H2,1-3H3,(H,26,32)(H,27,31)

InChI Key

VFHLDIAFBFNDSX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.017

Distribution Coefficient, logD

1.017

Water Solubility, LogSw

-2.31

Polar Surface Area

107.323

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

1.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C368-0761 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with C368-0761 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0761?
Check Price and Availability of C368-0761, 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 C368-0761 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0761
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0761
  • 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 C368-0761 available by request