V028-1296 Screening compound: 5-(4-methoxyphenyl)-N-{3-oxo-3-[(3-pyridylmethyl)amino]propyl}-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

V028-1296 Screening compound: 5-(4-methoxyphenyl)-N-{3-oxo-3-[(3-pyridylmethyl)amino]propyl}-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide
V028-1296 Screening compound: 5-(4-methoxyphenyl)-N-{3-oxo-3-[(3-pyridylmethyl)amino]propyl}-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-1296
5-(4-methoxyphenyl)-N-{3-oxo-3-[(3-pyridylmethyl)amino]propyl}-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

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

V028-1296

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

5-(4-methoxyphenyl)-N-{3-oxo-3-[(3-pyridylmethyl)amino]propyl}-N-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

IUPAC name

3-{1-[5-(4-methoxyphenyl)-12-oxazol-3-yl]-N-[(oxolan-2-yl)methyl]formamido}-N-[(pyridin-3-yl)methyl]propanamide

SMILES

COc(cc1)ccc1-c1cc(C(N(CCC(NCc2cnccc2)=O)CC2OCCC2)=O)no1

InChI

InChI=1S/C25H28N4O5/c1-32-20-8-6-19(7-9-20)23-14-22(28-34-23)25(31)29(17-21-5-3-13-33-21)12-10-24(30)27-16-18-4-2-11-26-15-18/h2,4,6-9,11,14-15,21H,3,5,10,12-13,16-17H2,1H3,(H,27,30)/t21-/m1/s1

InChI Key

SFJAUESIPMMTGJ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19812930

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.868

Distribution Coefficient, logD

1.866

Water Solubility, LogSw

-1.76

Polar Surface Area

87.879

Acid Dissociation Constant (pKa)

13.73

Base Dissociation Constant (pKb)

5.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

V028-1296 in Drug Discovery

Included in Screening Libraries

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 V028-1296 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-1296?
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What is the minimum amount of V028-1296 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-1296
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-1296
  • 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 V028-1296 available by request