V028-8391 Screening compound: N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-1,2-oxazol-4-yl]methyl}-2-phenylacetamide

V028-8391 Screening compound: N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-1,2-oxazol-4-yl]methyl}-2-phenylacetamide
V028-8391 Screening compound: N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-1,2-oxazol-4-yl]methyl}-2-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-8391
N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-1,2-oxazol-4-yl]methyl}-2-phenylacetamide

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

V028-8391

Molecular Formula

C27H31N3O3 (C27 H31 N3 O3)

Compound Name

N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-1,2-oxazol-4-yl]methyl}-2-phenylacetamide

IUPAC name

N-(cyclopropylmethyl)-N-{[3-(3-methylphenyl)-5-(morpholin-4-yl)-12-oxazol-4-yl]methyl}-2-phenylacetamide

SMILES

Cc1cccc(-c2noc(N3CCOCC3)c2CN(CC2CC2)C(Cc2ccccc2)=O)c1

InChI

InChI=1S/C27H31N3O3/c1-20-6-5-9-23(16-20)26-24(27(33-28-26)29-12-14-32-15-13-29)19-30(18-22-10-11-22)25(31)17-21-7-3-2-4-8-21/h2-9,16,22H,10-15,17-19H2,1H3

InChI Key

ZNQLCRMVSJFUFX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19884171

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

445.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.690

Distribution Coefficient, logD

4.690

Water Solubility, LogSw

-4.58

Polar Surface Area

50.380

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

7.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.74

V028-8391 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with V028-8391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-8391?
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What is the minimum amount of V028-8391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-8391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-8391
  • 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 V028-8391 available by request