V029-0425 Screening compound: 4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

V029-0425 Screening compound: 4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
V029-0425 Screening compound: 4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0425
4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]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

V029-0425

Molecular Formula

C25H21F3N4O4 (C25 H21 F3 N4 O4)

Compound Name

4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

IUPAC name

4-nitro-N-[4-(2-oxo-3-{[4-(trifluoromethyl)phenyl]methyl}-13-diazinan-1-yl)phenyl]benzamide

SMILES

[O-][N+](c(cc1)ccc1C(Nc(cc1)ccc1N(CCCN1Cc2ccc(C(F)(F)F)cc2)C1=O)=O)=O

InChI

InChI=1S/C25H21F3N4O4/c26-25(27,28)19-6-2-17(3-7-19)16-30-14-1-15-31(24(30)34)21-12-8-20(9-13-21)29-23(33)18-4-10-22(11-5-18)32(35)36/h2-13H,1,14-16H2,(H,29,33)

InChI Key

FCHBIJZDXYTNGC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897256

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

498.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.046

Distribution Coefficient, logD

5.046

Water Solubility, LogSw

-4.92

Polar Surface Area

76.270

Acid Dissociation Constant (pKa)

10.83

Base Dissociation Constant (pKb)

1.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V029-0425 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0425?
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What is the minimum amount of V029-0425 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0425
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0425
  • 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 V029-0425 available by request