D481-0291 Screening compound: 2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

D481-0291 Screening compound: 2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide
D481-0291 Screening compound: 2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D481-0291
2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

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

D481-0291

Molecular Formula

C25H20FN5O (C25 H20 FN5 O)

Compound Name

2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]benzamide

IUPAC name

2-fluoro-N-[5-(4-methylphenyl)-7-phenyl-4H7H-[124]triazolo[15-a]pyrimidin-2-yl]benzamide

SMILES

Cc(cc1)ccc1C1=CC(c2ccccc2)n2nc(NC(c(cccc3)c3F)=O)nc2N1

InChI

InChI=1S/C25H20FN5O/c1-16-11-13-17(14-12-16)21-15-22(18-7-3-2-4-8-18)31-25(27-21)29-24(30-31)28-23(32)19-9-5-6-10-20(19)26/h2-15,22H,1H3,(H2,27,28,29,30,32)/t22-/m0/s1

InChI Key

JGVSETDNPBBLGV-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27588730

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

425.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.458

Distribution Coefficient, logD

5.263

Water Solubility, LogSw

-5.44

Polar Surface Area

61.884

Acid Dissociation Constant (pKa)

7.64

Base Dissociation Constant (pKb)

-2.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

8.00

D481-0291 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein-Protein Interaction Library (218420 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D481-0291 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D481-0291?
Check Price and Availability of D481-0291, 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 D481-0291 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D481-0291
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D481-0291
  • 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 D481-0291 available by request