C200-1529 Screening compound: 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide

C200-1529 Screening compound: 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide
C200-1529 Screening compound: 5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-1529
5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)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

C200-1529

Molecular Formula

C23H26N6O6 (C23 H26 N6 O6)

Compound Name

5-amino-1-{[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-1,2,3-triazole-4-carboxamide

IUPAC name

5-amino-1-{[(23-dihydro-14-benzodioxin-6-yl)carbamoyl]methyl}-N-[2-(34-dimethoxyphenyl)ethyl]-1H-123-triazole-4-carboxamide

SMILES

COc(ccc(CCNC(c1c(N)n(CC(Nc(cc2)cc3c2OCCO3)=O)nn1)=O)c1)c1OC

InChI

InChI=1S/C23H26N6O6/c1-32-16-5-3-14(11-18(16)33-2)7-8-25-23(31)21-22(24)29(28-27-21)13-20(30)26-15-4-6-17-19(12-15)35-10-9-34-17/h3-6,11-12H,7-10,13,24H2,1-2H3,(H,25,31)(H,26,30)

InChI Key

XVNRNHPVGSVNTK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05718152

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

482.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

12

Partition Coefficient, logP

-0.297

Distribution Coefficient, logD

-0.297

Water Solubility, LogSw

-2.03

Polar Surface Area

124.685

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

C200-1529 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C200-1529 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-1529?
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What is the minimum amount of C200-1529 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-1529
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-1529
  • 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 C200-1529 available by request