C656-0156 Screening compound: ethyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}propanoate

C656-0156 Screening compound: ethyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}propanoate
C656-0156 Screening compound: ethyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}propanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0156
ethyl 2-{3-[(4-fluorophenyl)methyl]-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl}propanoate

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

C656-0156

Molecular Formula

C16H16FN5O3 (C16 H16 FN5 O3)

Compound Name

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

IUPAC name

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

SMILES

CCOC(C(C)N(C=Nc1c2nnn1Cc(cc1)ccc1F)C2=O)=O

InChI

InChI=1S/C16H16FN5O3/c1-3-25-16(24)10(2)21-9-18-14-13(15(21)23)19-20-22(14)8-11-4-6-12(17)7-5-11/h4-7,9-10H,3,8H2,1-2H3/t10-/m0/s1

InChI Key

INTILKXEODDUML-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05713118

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.33

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.156

Distribution Coefficient, logD

1.156

Water Solubility, LogSw

-2.00

Polar Surface Area

73.554

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

2.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.30

C656-0156 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Therapeutical Diversity Annotated Library (7563 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 C656-0156 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0156?
Check Price and Availability of C656-0156, 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 C656-0156 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0156
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0156
  • 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 C656-0156 available by request