V022-0972 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-phenoxypropan-2-ol

V022-0972 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-phenoxypropan-2-ol
V022-0972 Screening compound: 1-{[(3-chlorophenyl)methyl]({[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-phenoxypropan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V022-0972
1-{[(3-chlorophenyl)methyl]({[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl})amino}-3-phenoxypropan-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

V022-0972

Molecular Formula

C27H29ClN2O4 (C27 H29 ClN2 O4)

Compound Name

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

IUPAC name

1-{[(3-chlorophenyl)methyl]({[3-(4-methoxyphenyl)-45-dihydro-12-oxazol-5-yl]methyl})amino}-3-phenoxypropan-2-ol

SMILES

COc(cc1)ccc1C1=NOC(CN(CC(COc2ccccc2)O)Cc2cccc(Cl)c2)C1

InChI

InChI=1S/C27H29ClN2O4/c1-32-24-12-10-21(11-13-24)27-15-26(34-29-27)18-30(16-20-6-5-7-22(28)14-20)17-23(31)19-33-25-8-3-2-4-9-25/h2-14,23,26,31H,15-19H2,1H3

InChI Key

XJNCLNOQQDUOSG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869429

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

480.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.591

Distribution Coefficient, logD

5.583

Water Solubility, LogSw

-5.76

Polar Surface Area

58.177

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

5.69

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

29.60

References: we are preparing a list of scientific research reports with V022-0972 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V022-0972?
Check Price and Availability of V022-0972, 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 V022-0972 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V022-0972
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V022-0972
  • 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 V022-0972 available by request