V002-2596 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-(2-methylphenoxy)propan-2-ol

V002-2596 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-(2-methylphenoxy)propan-2-ol
V002-2596 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V002-2596
1-{[(3-chlorophenyl)methyl]({[3-(2-methylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]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

V002-2596

Molecular Formula

C28H31ClN2O3 (C28 H31 ClN2 O3)

Compound Name

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

IUPAC name

1-{[(3-chlorophenyl)methyl]({[3-(2-methylphenyl)-45-dihydro-12-oxazol-5-yl]methyl})amino}-3-(2-methylphenoxy)propan-2-ol

SMILES

Cc(cccc1)c1C1=NOC(CN(CC(COc2c(C)cccc2)O)Cc2cccc(Cl)c2)C1

InChI

InChI=1S/C28H31ClN2O3/c1-20-8-3-5-12-26(20)27-15-25(34-30-27)18-31(16-22-10-7-11-23(29)14-22)17-24(32)19-33-28-13-6-4-9-21(28)2/h3-14,24-25,32H,15-19H2,1-2H3

InChI Key

COFSQBMBRVFWIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869193

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

479.02

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

6.470

Distribution Coefficient, logD

6.461

Water Solubility, LogSw

-6.09

Polar Surface Area

50.720

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V002-2596 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V002-2596?
Check Price and Availability of V002-2596, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of V002-2596 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V002-2596
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V002-2596
  • 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 V002-2596 available by request