V016-4578 Screening compound: 3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

V016-4578 Screening compound: 3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}urea
V016-4578 Screening compound: 3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound V016-4578
3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

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

V016-4578

Molecular Formula

C27H34N4O3 (C27 H34 N4 O3)

Compound Name

3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-1,2-oxazol-4-yl]methyl}urea

IUPAC name

3-(3-methoxypropyl)-1-(4-methylphenyl)-3-{[3-phenyl-5-(piperidin-1-yl)-12-oxazol-4-yl]methyl}urea

SMILES

Cc(cc1)ccc1NC(N(CCCOC)Cc1c(N2CCCCC2)onc1-c1ccccc1)=O

InChI

InChI=1S/C27H34N4O3/c1-21-12-14-23(15-13-21)28-27(32)31(18-9-19-33-2)20-24-25(22-10-5-3-6-11-22)29-34-26(24)30-16-7-4-8-17-30/h3,5-6,10-15H,4,7-9,16-20H2,1-2H3,(H,28,32)

InChI Key

PBEDJYZMRHDKGO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19883464

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

5.116

Water Solubility, LogSw

-4.88

Polar Surface Area

59.889

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

-1.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

References: we are preparing a list of scientific research reports with V016-4578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V016-4578?
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What is the minimum amount of V016-4578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V016-4578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V016-4578
  • 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 V016-4578 available by request