V003-8665 Screening compound: {[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

V003-8665 Screening compound: {[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine
V003-8665 Screening compound: {[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8665
{[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

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

V003-8665

Molecular Formula

C23H23Cl2FN2O3 (C23 H23 Cl2 FN2 O3)

Compound Name

{[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

IUPAC name

{[3-(34-dichlorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}[(2-fluorophenyl)methyl][2-hydroxy-3-(prop-2-yn-1-yloxy)propyl]amine

SMILES

C#CCOCC(CN(CC(C1)ON=C1c(cc1)cc(Cl)c1Cl)Cc(cccc1)c1F)O

InChI

InChI=1S/C23H23Cl2FN2O3/c1-2-9-30-15-18(29)13-28(12-17-5-3-4-6-22(17)26)14-19-11-23(27-31-19)16-7-8-20(24)21(25)10-16/h1,3-8,10,18-19,29H,9,11-15H2

InChI Key

CGLWOKPDZXVMIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869477

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.35

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.963

Distribution Coefficient, logD

4.959

Water Solubility, LogSw

-5.09

Polar Surface Area

51.758

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

34.80

V003-8665 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with V003-8665 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8665?
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What is the minimum amount of V003-8665 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8665
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8665
  • 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 V003-8665 available by request