C200-1525 Screening compound: 5-amino-1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide

C200-1525 Screening compound: 5-amino-1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide
C200-1525 Screening compound: 5-amino-1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1525
5-amino-1-{[(2H-1,3-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)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

C200-1525

Molecular Formula

C20H20N6O5 (C20 H20 N6 O5)

Compound Name

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

IUPAC name

5-amino-1-{[(2H-13-benzodioxol-5-yl)carbamoyl]methyl}-N-[(3-methoxyphenyl)methyl]-1H-123-triazole-4-carboxamide

SMILES

COc1cccc(CNC(c2c(N)n(CC(Nc(cc3)cc4c3OCO4)=O)nn2)=O)c1

InChI

InChI=1S/C20H20N6O5/c1-29-14-4-2-3-12(7-14)9-22-20(28)18-19(21)26(25-24-18)10-17(27)23-13-5-6-15-16(8-13)31-11-30-15/h2-8H,9-11,21H2,1H3,(H,22,28)(H,23,27)

InChI Key

SWEFATUQTZFINV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718151

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.42

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.210

Distribution Coefficient, logD

1.210

Water Solubility, LogSw

-2.08

Polar Surface Area

118.418

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

3.06

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

C200-1525 in Drug Discovery

Included in Screening Libraries

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

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

References: we are preparing a list of scientific research reports with C200-1525 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1525?
Check Price and Availability of C200-1525, 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 C200-1525 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1525
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1525
  • 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 C200-1525 available by request