C656-0561 Screening compound: N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

C656-0561 Screening compound: N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
C656-0561 Screening compound: N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0561
N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

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

C656-0561

Molecular Formula

C21H20N6O5 (C21 H20 N6 O5)

Compound Name

N-(2,4-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

IUPAC name

N-(24-dimethoxyphenyl)-2-[3-(3-methoxyphenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

COc1cccc(-n2nnc3c2N=CN(CC(Nc(ccc(OC)c2)c2OC)=O)C3=O)c1

InChI

InChI=1S/C21H20N6O5/c1-30-14-6-4-5-13(9-14)27-20-19(24-25-27)21(29)26(12-22-20)11-18(28)23-16-8-7-15(31-2)10-17(16)32-3/h4-10,12H,11H2,1-3H3,(H,23,28)

InChI Key

ZYLCHZVKRBMKCI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.43

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.797

Distribution Coefficient, logD

1.797

Water Solubility, LogSw

-2.53

Polar Surface Area

98.328

Acid Dissociation Constant (pKa)

11.14

Base Dissociation Constant (pKb)

1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

C656-0561 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with C656-0561 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0561?
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What is the minimum amount of C656-0561 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0561
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0561
  • 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 C656-0561 available by request