D351-0406 Screening compound: 2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

D351-0406 Screening compound: 2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
D351-0406 Screening compound: 2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one alternative view

Chemical Structure Depiction of ChemDiv screening compound D351-0406
2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]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

D351-0406

Molecular Formula

C20H16F3N5O (C20 H16 F3 N5 O)

Compound Name

2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

IUPAC name

2-(2-methylphenyl)-5-({[3-(trifluoromethyl)phenyl]amino}methyl)-4H7H-[124]triazolo[15-a]pyrimidin-7-one

SMILES

Cc(cccc1)c1-c(nc1NC(CNc2cccc(C(F)(F)F)c2)=C2)nn1C2=O

InChI

InChI=1S/C20H16F3N5O/c1-12-5-2-3-8-16(12)18-26-19-25-15(10-17(29)28(19)27-18)11-24-14-7-4-6-13(9-14)20(21,22)23/h2-10,24H,11H2,1H3,(H,25,26,27)

InChI Key

HZZPAZFHNVGXHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27580863

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.38

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

4.269

Distribution Coefficient, logD

4.222

Water Solubility, LogSw

-4.43

Polar Surface Area

61.575

Acid Dissociation Constant (pKa)

8.34

Base Dissociation Constant (pKb)

3.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

D351-0406 in Drug Discovery

Included in Screening Libraries

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

Protein Arginine Methyltransferases Library (27925 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D351-0406 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D351-0406?
Check Price and Availability of D351-0406, 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 D351-0406 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D351-0406
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D351-0406
  • 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 D351-0406 available by request