V022-9440 Screening compound: 1-((4-fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isopropoxy-2-propanol

V022-9440 Screening compound: 1-((4-fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isopropoxy-2-propanol
V022-9440 Screening compound: 1-((4-fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isopropoxy-2-propanol alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-9440
1-((4-fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isopropoxy-2-propanol

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

V022-9440

Molecular Formula

C23H28F2N2O3 (C23 H28 F2 N2 O3)

Compound Name

1-((4-fluorobenzyl){[3-(4-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}amino)-3-isopropoxy-2-propanol

IUPAC name

{[3-(4-fluorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl][2-hydroxy-3-(propan-2-yloxy)propyl]amine

SMILES

CC(C)OCC(CN(CC(C1)ON=C1c(cc1)ccc1F)Cc(cc1)ccc1F)O

InChI

InChI=1S/C23H28F2N2O3/c1-16(2)29-15-21(28)13-27(12-17-3-7-19(24)8-4-17)14-22-11-23(26-30-22)18-5-9-20(25)10-6-18/h3-10,16,21-22,28H,11-15H2,1-2H3

InChI Key

PKJDHATUHDGHHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869244

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

418.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.990

Distribution Coefficient, logD

3.980

Water Solubility, LogSw

-4.19

Polar Surface Area

50.688

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V022-9440 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-9440?
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What is the minimum amount of V022-9440 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-9440
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-9440
  • 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 V022-9440 available by request