V028-9457 Screening compound: 3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide

V028-9457 Screening compound: 3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide
V028-9457 Screening compound: 3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-9457
3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide

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

V028-9457

Molecular Formula

C19H16F3N5O2 (C19 H16 F3 N5 O2)

Compound Name

3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide

IUPAC name

3-{5-oxo-3-[3-(trifluoromethyl)phenyl]-25-dihydro-124-triazin-6-yl}-N-[(pyridin-3-yl)methyl]propanamide

SMILES

O=C(CCC1=NNC(c2cccc(C(F)(F)F)c2)=NC1=O)NCc1cnccc1

InChI

InChI=1S/C19H16F3N5O2/c20-19(21,22)14-5-1-4-13(9-14)17-25-18(29)15(26-27-17)6-7-16(28)24-11-12-3-2-8-23-10-12/h1-5,8-10H,6-7,11H2,(H,24,28)(H,25,27,29)

InChI Key

JEWCPNAZSYIMMC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264454

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

403.36

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.415

Distribution Coefficient, logD

1.415

Water Solubility, LogSw

-1.35

Polar Surface Area

80.297

Acid Dissociation Constant (pKa)

8.91

Base Dissociation Constant (pKb)

2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

V028-9457 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 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
Agro:
  • Agro

References: we are preparing a list of scientific research reports with V028-9457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-9457?
Check Price and Availability of V028-9457, 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 V028-9457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-9457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-9457
  • 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 V028-9457 available by request