C656-0479 Screening compound: 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide

C656-0479 Screening compound: 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide
C656-0479 Screening compound: 2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0479
2-[3-(3-chlorophenyl)-7-oxo-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-6-yl]-N-(3-fluorophenyl)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

C656-0479

Molecular Formula

C18H12ClFN6O2 (C18 H12 ClFN6 O2)

Compound Name

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

IUPAC name

2-[3-(3-chlorophenyl)-7-oxo-3H6H7H-[123]triazolo[45-d]pyrimidin-6-yl]-N-(3-fluorophenyl)acetamide

SMILES

O=C(CN(C=Nc1c2nnn1-c1cccc(Cl)c1)C2=O)Nc1cc(F)ccc1

InChI

InChI=1S/C18H12ClFN6O2/c19-11-3-1-6-14(7-11)26-17-16(23-24-26)18(28)25(10-21-17)9-15(27)22-13-5-2-4-12(20)8-13/h1-8,10H,9H2,(H,22,27)

InChI Key

CAUWLMAIZOQQFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04471097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.78

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.39

Polar Surface Area

76.308

Acid Dissociation Constant (pKa)

11.03

Base Dissociation Constant (pKb)

0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

References: we are preparing a list of scientific research reports with C656-0479 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0479?
Check Price and Availability of C656-0479, 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 C656-0479 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0479
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0479
  • 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 C656-0479 available by request