C368-0767 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0767 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0767 Screening compound: 5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(3,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0767
5-amino-N-[2-(3,4-diethoxyphenyl)ethyl]-1-{[(3,4-dimethoxyphenyl)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

C368-0767

Molecular Formula

C25H32N6O6 (C25 H32 N6 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOc(ccc(CCNC(c1c(N)n(CC(Nc(cc2)cc(OC)c2OC)=O)nn1)=O)c1)c1OCC

InChI

InChI=1S/C25H32N6O6/c1-5-36-19-9-7-16(13-21(19)37-6-2)11-12-27-25(33)23-24(26)31(30-29-23)15-22(32)28-17-8-10-18(34-3)20(14-17)35-4/h7-10,13-14H,5-6,11-12,15,26H2,1-4H3,(H,27,33)(H,28,32)

InChI Key

YZZAPPJOQRCWIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

15.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.757

Distribution Coefficient, logD

0.757

Water Solubility, LogSw

-2.16

Polar Surface Area

123.282

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

2.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C368-0767 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C368-0767 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0767?
Check Price and Availability of C368-0767, 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 C368-0767 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0767
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0767
  • 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 C368-0767 available by request