V017-8401 Screening compound: [3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine

V017-8401 Screening compound: [3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine
V017-8401 Screening compound: [3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine alternative view

Chemical Structure Depiction of ChemDiv screening compound V017-8401
[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine

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

V017-8401

Molecular Formula

C27H35N3O4 (C27 H35 N3 O4)

Compound Name

[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-1,2-oxazol-4-yl]methyl}amine

IUPAC name

[3-(benzyloxy)-2-hydroxypropyl](2-methoxyethyl){[3-phenyl-5-(pyrrolidin-1-yl)-12-oxazol-4-yl]methyl}amine

SMILES

COCCN(CC(COCc1ccccc1)O)Cc1c(N2CCCC2)onc1-c1ccccc1

InChI

InChI=1S/C27H35N3O4/c1-32-17-16-29(18-24(31)21-33-20-22-10-4-2-5-11-22)19-25-26(23-12-6-3-7-13-23)28-34-27(25)30-14-8-9-15-30/h2-7,10-13,24,31H,8-9,14-21H2,1H3/t24-/m0/s1

InChI Key

JUSPENUDQCFBFE-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD19879251

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

465.59

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

13.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.803

Distribution Coefficient, logD

1.919

Water Solubility, LogSw

-3.90

Polar Surface Area

63.989

Acid Dissociation Constant (pKa)

14.70

Base Dissociation Constant (pKb)

9.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

V017-8401 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 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 V017-8401 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V017-8401?
Check Price and Availability of V017-8401, 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 V017-8401 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V017-8401
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V017-8401
  • 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 V017-8401 available by request