C368-0766 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0766 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0766 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(4-methoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0766
5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(4-methoxyphenyl)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

C368-0766

Molecular Formula

C24H30N6O5 (C24 H30 N6 O5)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(c1c(N)n(CC(Nc(cc2)ccc2OC)=O)nn1)=O)c1)c1OCC

InChI

InChI=1S/C24H30N6O5/c1-4-34-19-11-6-16(14-20(19)35-5-2)12-13-26-24(32)22-23(25)30(29-28-22)15-21(31)27-17-7-9-18(33-3)10-8-17/h6-11,14H,4-5,12-13,15,25H2,1-3H3,(H,26,32)(H,27,31)

InChI Key

YBKCWRKMXWJDJC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753787

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.204

Distribution Coefficient, logD

1.204

Water Solubility, LogSw

-2.29

Polar Surface Area

115.565

Acid Dissociation Constant (pKa)

12.56

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C368-0766 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Antibacterial Compounds Library (13827 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with C368-0766 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0766?
Check Price and Availability of C368-0766, 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 C368-0766 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0766
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0766
  • 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 C368-0766 available by request