C656-0582 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide

C656-0582 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[3-(3-methoxyphenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]acetamide
C656-0582 Screening compound: N-[2-(3,4-dimethoxyphenyl)ethyl]-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 C656-0582
N-[2-(3,4-dimethoxyphenyl)ethyl]-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

C656-0582

Molecular Formula

C23H24N6O5 (C23 H24 N6 O5)

Compound Name

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

IUPAC name

N-[2-(34-dimethoxyphenyl)ethyl]-2-[3-(3-methoxyphenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]acetamide

SMILES

COc1cccc(-n2nnc3c2N=CN(CC(NCCc(cc2)cc(OC)c2OC)=O)C3=O)c1

InChI

InChI=1S/C23H24N6O5/c1-32-17-6-4-5-16(12-17)29-22-21(26-27-29)23(31)28(14-25-22)13-20(30)24-10-9-15-7-8-18(33-2)19(11-15)34-3/h4-8,11-12,14H,9-10,13H2,1-3H3,(H,24,30)

InChI Key

SYCVIDSNUGUAGN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

0.922

Distribution Coefficient, logD

0.922

Water Solubility, LogSw

-2.27

Polar Surface Area

100.276

Acid Dissociation Constant (pKa)

14.77

Base Dissociation Constant (pKb)

1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C656-0582 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0582?
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What is the minimum amount of C656-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0582
  • 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 C656-0582 available by request