V022-2401 Screening compound: N-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N-(3-methoxybenzyl)-3-methylbutanamide

V022-2401 Screening compound: N-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N-(3-methoxybenzyl)-3-methylbutanamide
V022-2401 Screening compound: N-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N-(3-methoxybenzyl)-3-methylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-2401
N-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N-(3-methoxybenzyl)-3-methylbutanamide

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

V022-2401

Molecular Formula

C23H27FN2O3 (C23 H27 FN2 O3)

Compound Name

N-{[3-(2-fluorophenyl)-4,5-dihydro-5-isoxazolyl]methyl}-N-(3-methoxybenzyl)-3-methylbutanamide

IUPAC name

N-{[3-(2-fluorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide

SMILES

CC(C)CC(N(CC(C1)ON=C1c(cccc1)c1F)Cc1cc(OC)ccc1)=O

InChI

InChI=1S/C23H27FN2O3/c1-16(2)11-23(27)26(14-17-7-6-8-18(12-17)28-3)15-19-13-22(25-29-19)20-9-4-5-10-21(20)24/h4-10,12,16,19H,11,13-15H2,1-3H3/t19-/m0/s1

InChI Key

NONDFOZBBDIDRH-IBGZPJMESA-N

MDL Number (MFCD)

MFCD19772448

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.441

Distribution Coefficient, logD

4.441

Water Solubility, LogSw

-4.51

Polar Surface Area

46.302

Acid Dissociation Constant (pKa)

21.90

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.13

References: we are preparing a list of scientific research reports with V022-2401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-2401?
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What is the minimum amount of V022-2401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-2401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-2401
  • 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 V022-2401 available by request