V027-2239 Screening compound: 3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

V027-2239 Screening compound: 3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
V027-2239 Screening compound: 3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V027-2239
3-[5-oxo-3-(thiophen-2-yl)-2,5-dihydro-1,2,4-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]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

V027-2239

Molecular Formula

C18H15F3N4O2S (C18 H15 F3 N4 O2 S)

Compound Name

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

IUPAC name

3-[5-oxo-3-(thiophen-2-yl)-25-dihydro-124-triazin-6-yl]-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide

SMILES

O=C(CCC1=NNC(c2cccs2)=NC1=O)NCc1cc(C(F)(F)F)ccc1

InChI

InChI=1S/C18H15F3N4O2S/c19-18(20,21)12-4-1-3-11(9-12)10-22-15(26)7-6-13-17(27)23-16(25-24-13)14-5-2-8-28-14/h1-5,8-9H,6-7,10H2,(H,22,26)(H,23,25,27)

InChI Key

HAKCAQHABLSOSP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14264628

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

408.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.050

Water Solubility, LogSw

-2.86

Polar Surface Area

71.798

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

6.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with V027-2239 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V027-2239?
Check Price and Availability of V027-2239, 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 V027-2239 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V027-2239
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V027-2239
  • 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 V027-2239 available by request