V021-4536 Screening compound: 3-fluoro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide

V021-4536 Screening compound: 3-fluoro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide
V021-4536 Screening compound: 3-fluoro-N-[3-(2-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-1,3-diazinan-1-yl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V021-4536
3-fluoro-N-[3-(2-oxo-3-{[3-(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

V021-4536

Molecular Formula

C25H21F4N3O2 (C25 H21 F4 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

O=C(c1cccc(F)c1)Nc1cc(N(CCCN2Cc3cc(C(F)(F)F)ccc3)C2=O)ccc1

InChI

InChI=1S/C25H21F4N3O2/c26-20-8-2-6-18(14-20)23(33)30-21-9-3-10-22(15-21)32-12-4-11-31(24(32)34)16-17-5-1-7-19(13-17)25(27,28)29/h1-3,5-10,13-15H,4,11-12,16H2,(H,30,33)

InChI Key

FEPNJTAQWQIRKW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19897169

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.45

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

5.339

Distribution Coefficient, logD

5.335

Water Solubility, LogSw

-5.71

Polar Surface Area

42.888

Acid Dissociation Constant (pKa)

9.44

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with V021-4536 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V021-4536?
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What is the minimum amount of V021-4536 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V021-4536
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V021-4536
  • 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 V021-4536 available by request