V012-1650 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol

V012-1650 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol
V012-1650 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)-3-(2-methylphenoxy)propan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V012-1650
1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)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

V012-1650

Molecular Formula

C28H31ClN2O4 (C28 H31 ClN2 O4)

Compound Name

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

IUPAC name

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

SMILES

Cc(cccc1)c1OCC(CN(CC(C1)ON=C1c(cc1)ccc1Cl)Cc1cc(OC)ccc1)O

InChI

InChI=1S/C28H31ClN2O4/c1-20-6-3-4-9-28(20)34-19-24(32)17-31(16-21-7-5-8-25(14-21)33-2)18-26-15-27(30-35-26)22-10-12-23(29)13-11-22/h3-14,24,26,32H,15-19H2,1-2H3

InChI Key

JNOZFAKXYZWQKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869456

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

495.02

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

6.231

Distribution Coefficient, logD

5.871

Water Solubility, LogSw

-6.22

Polar Surface Area

58.263

Acid Dissociation Constant (pKa)

16.26

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

32.10

References: we are preparing a list of scientific research reports with V012-1650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V012-1650?
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What is the minimum amount of V012-1650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V012-1650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V012-1650
  • 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 V012-1650 available by request