C368-0270 Screening compound: 5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide

C368-0270 Screening compound: 5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
C368-0270 Screening compound: 5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0270
5-amino-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C368-0270

Molecular Formula

C23H28N6O6 (C23 H28 N6 O6)

Compound Name

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

IUPAC name

5-amino-1-{[(24-dimethoxyphenyl)carbamoyl]methyl}-N-[2-(34-dimethoxyphenyl)ethyl]-1H-123-triazole-4-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(Cn1nnc(C(NCCc(cc2)cc(OC)c2OC)=O)c1N)=O

InChI

InChI=1S/C23H28N6O6/c1-32-15-6-7-16(18(12-15)34-3)26-20(30)13-29-22(24)21(27-28-29)23(31)25-10-9-14-5-8-17(33-2)19(11-14)35-4/h5-8,11-12H,9-10,13,24H2,1-4H3,(H,25,31)(H,26,30)

InChI Key

ZEXMYMJRVIKFFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753662

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.51

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.476

Distribution Coefficient, logD

0.476

Water Solubility, LogSw

-2.21

Polar Surface Area

123.338

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C368-0270 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Pool

References: we are preparing a list of scientific research reports with C368-0270 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0270?
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What is the minimum amount of C368-0270 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0270
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0270
  • 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 C368-0270 available by request