V029-0435 Screening compound: N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)benzamide

V029-0435 Screening compound: N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)benzamide
V029-0435 Screening compound: N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V029-0435
N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)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

V029-0435

Molecular Formula

C25H21ClF3N3O2 (C25 H21 ClF3 N3 O2)

Compound Name

N-[5-(3-benzyl-2-oxo-1,3-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)benzamide

IUPAC name

N-[5-(3-benzyl-2-oxo-13-diazinan-1-yl)-2-chlorophenyl]-3-(trifluoromethyl)benzamide

SMILES

O=C(c1cc(C(F)(F)F)ccc1)Nc(cc(cc1)N(CCCN2Cc3ccccc3)C2=O)c1Cl

InChI

InChI=1S/C25H21ClF3N3O2/c26-21-11-10-20(32-13-5-12-31(24(32)34)16-17-6-2-1-3-7-17)15-22(21)30-23(33)18-8-4-9-19(14-18)25(27,28)29/h1-4,6-11,14-15H,5,12-13,16H2,(H,30,33)

InChI Key

ZPGXTXZKMXOWSV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19931617

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.91

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.589

Distribution Coefficient, logD

5.474

Water Solubility, LogSw

-6.05

Polar Surface Area

42.190

Acid Dissociation Constant (pKa)

7.92

Base Dissociation Constant (pKb)

-0.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V029-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V029-0435?
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What is the minimum amount of V029-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V029-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V029-0435
  • 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 V029-0435 available by request