C656-0103 Screening compound: N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

C656-0103 Screening compound: N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide
C656-0103 Screening compound: N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-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 C656-0103
N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-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

C656-0103

Molecular Formula

C23H23FN6O2 (C23 H23 FN6 O2)

Compound Name

N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamide

IUPAC name

N-(4-butylphenyl)-2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl}acetamide

SMILES

CCCCc(cc1)ccc1NC(CN(C=Nc1c2nnn1Cc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C23H23FN6O2/c1-2-3-4-16-7-11-19(12-8-16)26-20(31)14-29-15-25-22-21(23(29)32)27-28-30(22)13-17-5-9-18(24)10-6-17/h5-12,15H,2-4,13-14H2,1H3,(H,26,31)

InChI Key

OVVRGTFSWWSWSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713073

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.784

Distribution Coefficient, logD

3.784

Water Solubility, LogSw

-3.87

Polar Surface Area

76.171

Acid Dissociation Constant (pKa)

12.79

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

C656-0103 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C656-0103 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0103?
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What is the minimum amount of C656-0103 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0103
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0103
  • 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 C656-0103 available by request