C656-0200 Screening compound: methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate

C656-0200 Screening compound: methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate
C656-0200 Screening compound: methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0200
methyl 4-(2-{3-[(2-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetamido)benzoate

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

C656-0200

Molecular Formula

C21H17FN6O4 (C21 H17 FN6 O4)

Compound Name

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

IUPAC name

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

SMILES

COC(c(cc1)ccc1NC(CN(C=Nc1c2nnn1Cc(cccc1)c1F)C2=O)=O)=O

InChI

InChI=1S/C21H17FN6O4/c1-32-21(31)13-6-8-15(9-7-13)24-17(29)11-27-12-23-19-18(20(27)30)25-26-28(19)10-14-4-2-3-5-16(14)22/h2-9,12H,10-11H2,1H3,(H,24,29)

InChI Key

MMSJQNXZQRTNMV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

2.189

Water Solubility, LogSw

-2.73

Polar Surface Area

97.345

Acid Dissociation Constant (pKa)

11.22

Base Dissociation Constant (pKb)

1.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C656-0200 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 C656-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0200?
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What is the minimum amount of C656-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0200
  • 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 C656-0200 available by request