V003-8631 Screening compound: 1-({[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol

V003-8631 Screening compound: 1-({[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol
V003-8631 Screening compound: 1-({[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V003-8631
1-({[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol

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

V003-8631

Molecular Formula

C27H27Cl2FN2O3 (C27 H27 Cl2 FN2 O3)

Compound Name

1-({[3-(3,4-dichlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol

IUPAC name

1-({[3-(34-dichlorophenyl)-45-dihydro-12-oxazol-5-yl]methyl}[(4-fluorophenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1OCC(CN(CC(C1)ON=C1c(cc1)cc(Cl)c1Cl)Cc(cc1)ccc1F)O

InChI

InChI=1S/C27H27Cl2FN2O3/c1-18-4-2-3-5-27(18)34-17-22(33)15-32(14-19-6-9-21(30)10-7-19)16-23-13-26(31-35-23)20-8-11-24(28)25(29)12-20/h2-12,22-23,33H,13-17H2,1H3

InChI Key

MIZTXTUWYORWFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869472

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

517.43

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

6.868

Distribution Coefficient, logD

6.860

Water Solubility, LogSw

-6.34

Polar Surface Area

50.720

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V003-8631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V003-8631?
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What is the minimum amount of V003-8631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V003-8631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V003-8631
  • 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 V003-8631 available by request