C656-0145 Screening compound: 6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0145 Screening compound: 6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0145 Screening compound: 6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0145
6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

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

C656-0145

Molecular Formula

C18H13BrFN5O (C18 H13 BrFN5 O)

Compound Name

6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

IUPAC name

6-[(4-bromophenyl)methyl]-3-[(4-fluorophenyl)methyl]-3H6H7H-[123]triazolo[45-d]pyrimidin-7-one

SMILES

O=C1N(Cc(cc2)ccc2Br)C=Nc2c1nnn2Cc(cc1)ccc1F

InChI

InChI=1S/C18H13BrFN5O/c19-14-5-1-12(2-6-14)9-24-11-21-17-16(18(24)26)22-23-25(17)10-13-3-7-15(20)8-4-13/h1-8,11H,9-10H2

InChI Key

DKHCYEQZHPREAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05713108

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.886

Distribution Coefficient, logD

2.886

Water Solubility, LogSw

-3.06

Polar Surface Area

53.022

Acid Dissociation Constant (pKa)

24.99

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C656-0145 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Antiviral Annotated Library (21441 compounds)

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • 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 C656-0145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0145?
Check Price and Availability of C656-0145, 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 C656-0145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0145
  • 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 C656-0145 available by request