V018-4545 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)pentan-2-ol

V018-4545 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)pentan-2-ol
V018-4545 Screening compound: 1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)pentan-2-ol alternative view

Chemical Structure Depiction of ChemDiv screening compound V018-4545
1-({[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl}[(3-methoxyphenyl)methyl]amino)pentan-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

V018-4545

Molecular Formula

C23H29ClN2O3 (C23 H29 ClN2 O3)

Compound Name

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

IUPAC name

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

SMILES

CCCC(CN(CC(C1)ON=C1c(cc1)ccc1Cl)Cc1cc(OC)ccc1)O

InChI

InChI=1S/C23H29ClN2O3/c1-3-5-20(27)15-26(14-17-6-4-7-21(12-17)28-2)16-22-13-23(25-29-22)18-8-10-19(24)11-9-18/h4,6-12,20,22,27H,3,5,13-16H2,1-2H3

InChI Key

PJQRPLUIFPUTDT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19869298

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

416.95

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

4.984

Distribution Coefficient, logD

4.596

Water Solubility, LogSw

-5.11

Polar Surface Area

50.949

Acid Dissociation Constant (pKa)

16.66

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

43.50

References: we are preparing a list of scientific research reports with V018-4545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V018-4545?
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What is the minimum amount of V018-4545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V018-4545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V018-4545
  • 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 V018-4545 available by request