V005-9686 Screening compound: 5-(3-methoxyphenyl)-N~3~-{3-oxo-3-[(2-pyridylmethyl)amino]propyl}-N~3~-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide

V005-9686 Screening compound: 5-(3-methoxyphenyl)-N~3~-{3-oxo-3-[(2-pyridylmethyl)amino]propyl}-N~3~-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide
V005-9686 Screening compound: 5-(3-methoxyphenyl)-N~3~-{3-oxo-3-[(2-pyridylmethyl)amino]propyl}-N~3~-(tetrahydro-2-furanylmethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V005-9686
5-(3-methoxyphenyl)-N~3~-{3-oxo-3-[(2-pyridylmethyl)amino]propyl}-N~3~-(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

V005-9686

Molecular Formula

C25H28N4O5 (C25 H28 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

COc1cccc(-c2cc(C(N(CCC(NCc3ncccc3)=O)CC3OCCC3)=O)no2)c1

InChI

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

InChI Key

USRSLRMGYVDIBO-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD19811033

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

2.171

Distribution Coefficient, logD

2.171

Water Solubility, LogSw

-2.62

Polar Surface Area

87.904

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

4.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with V005-9686 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V005-9686?
Check Price and Availability of V005-9686, 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 V005-9686 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V005-9686
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V005-9686
  • 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 V005-9686 available by request