C656-0154 Screening compound: methyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate

C656-0154 Screening compound: methyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate
C656-0154 Screening compound: methyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0154
methyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}acetate

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

C656-0154

Molecular Formula

C14H12FN5O3 (C14 H12 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

COC(CN(C=Nc1c2nnn1Cc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C14H12FN5O3/c1-23-11(21)7-19-8-16-13-12(14(19)22)17-18-20(13)6-9-2-4-10(15)5-3-9/h2-5,8H,6-7H2,1H3

InChI Key

YMHUUKNZPCWYHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713117

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.28

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.320

Distribution Coefficient, logD

0.320

Water Solubility, LogSw

-1.63

Polar Surface Area

73.872

Acid Dissociation Constant (pKa)

24.25

Base Dissociation Constant (pKb)

2.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.40

C656-0154 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C656-0154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0154?
Check Price and Availability of C656-0154, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C656-0154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0154
  • 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 C656-0154 available by request