V002-0400 Screening compound: 2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

V002-0400 Screening compound: 2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
V002-0400 Screening compound: 2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-0400
2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

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

V002-0400

Molecular Formula

C23H22ClF3N4O4 (C23 H22 ClF3 N4 O4)

Compound Name

2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-3,5-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide

IUPAC name

2-(3-chloro-4-methylphenyl)-N-(3-methoxypropyl)-35-dioxo-4-{[4-(trifluoromethyl)phenyl]methyl}-2345-tetrahydro-124-triazine-6-carboxamide

SMILES

Cc(ccc(N(C(N1Cc2ccc(C(F)(F)F)cc2)=O)N=C(C(NCCCOC)=O)C1=O)c1)c1Cl

InChI

InChI=1S/C23H22ClF3N4O4/c1-14-4-9-17(12-18(14)24)31-22(34)30(13-15-5-7-16(8-6-15)23(25,26)27)21(33)19(29-31)20(32)28-10-3-11-35-2/h4-9,12H,3,10-11,13H2,1-2H3,(H,28,32)

InChI Key

WWOSNLUPNUITAM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19840245

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

510.9

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.475

Distribution Coefficient, logD

4.475

Water Solubility, LogSw

-4.57

Polar Surface Area

75.114

Acid Dissociation Constant (pKa)

11.39

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with V002-0400 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-0400?
Check Price and Availability of V002-0400, 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 V002-0400 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-0400
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-0400
  • 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 V002-0400 available by request