C656-0360 Screening compound: 6-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one

C656-0360 Screening compound: 6-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one
C656-0360 Screening compound: 6-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-3H,6H,7H-[1,2,3]triazolo[4,5-d]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C656-0360
6-[(4-bromophenyl)methyl]-3-(4-methylphenyl)-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

C656-0360

Molecular Formula

C18H14BrN5O (C18 H14 BrN5 O)

Compound Name

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

IUPAC name

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

SMILES

Cc(cc1)ccc1-n1nnc2c1N=CN(Cc(cc1)ccc1Br)C2=O

InChI

InChI=1S/C18H14BrN5O/c1-12-2-8-15(9-3-12)24-17-16(21-22-24)18(25)23(11-20-17)10-13-4-6-14(19)7-5-13/h2-9,11H,10H2,1H3

InChI Key

CNLCHEPEZFMEKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05893077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.25

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.387

Distribution Coefficient, logD

3.387

Water Solubility, LogSw

-3.42

Polar Surface Area

53.158

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

C656-0360 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with C656-0360 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C656-0360?
Check Price and Availability of C656-0360, 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 C656-0360 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C656-0360
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C656-0360
  • 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 C656-0360 available by request