C368-0264 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide

C368-0264 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide
C368-0264 Screening compound: 5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(2,4-dimethoxyphenyl)carbamoyl]methyl}-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C368-0264
5-amino-N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-{[(2,4-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

C368-0264

Molecular Formula

C21H22N6O6 (C21 H22 N6 O6)

Compound Name

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

IUPAC name

5-amino-N-[(2H-13-benzodioxol-5-yl)methyl]-1-{[(24-dimethoxyphenyl)carbamoyl]methyl}-1H-123-triazole-4-carboxamide

SMILES

COc(cc1)cc(OC)c1NC(Cn1nnc(C(NCc(cc2)cc3c2OCO3)=O)c1N)=O

InChI

InChI=1S/C21H22N6O6/c1-30-13-4-5-14(16(8-13)31-2)24-18(28)10-27-20(22)19(25-26-27)21(29)23-9-12-3-6-15-17(7-12)33-11-32-15/h3-8H,9-11,22H2,1-2H3,(H,23,29)(H,24,28)

InChI Key

DICVPQIQLUJRQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14753657

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

0.938

Distribution Coefficient, logD

0.938

Water Solubility, LogSw

-2.24

Polar Surface Area

125.351

Acid Dissociation Constant (pKa)

11.12

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C368-0264 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Regenerative Medicine Focused Library (23016 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C368-0264 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C368-0264?
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What is the minimum amount of C368-0264 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C368-0264
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C368-0264
  • 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 C368-0264 available by request