V028-0491 Screening compound: N-[2-(4-methylpiperazino)-2-oxoethyl]-5-(2-thienyl)-3-isoxazolecarboxamide

V028-0491 Screening compound: N-[2-(4-methylpiperazino)-2-oxoethyl]-5-(2-thienyl)-3-isoxazolecarboxamide
V028-0491 Screening compound: N-[2-(4-methylpiperazino)-2-oxoethyl]-5-(2-thienyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V028-0491
N-[2-(4-methylpiperazino)-2-oxoethyl]-5-(2-thienyl)-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

V028-0491

Molecular Formula

C15H18N4O3S (C15 H18 N4 O3 S)

Compound Name

N-[2-(4-methylpiperazino)-2-oxoethyl]-5-(2-thienyl)-3-isoxazolecarboxamide

IUPAC name

N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5-(thiophen-2-yl)-12-oxazole-3-carboxamide

SMILES

CN(CC1)CCN1C(CNC(c1noc(-c2cccs2)c1)=O)=O

InChI

InChI=1S/C15H18N4O3S/c1-18-4-6-19(7-5-18)14(20)10-16-15(21)11-9-12(22-17-11)13-3-2-8-23-13/h2-3,8-9H,4-7,10H2,1H3,(H,16,21)

InChI Key

DSBCJLLCFGAAND-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19808195

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

334.4

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.100

Distribution Coefficient, logD

0.969

Water Solubility, LogSw

-2.39

Polar Surface Area

67.074

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

6.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

V028-0491 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 V028-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V028-0491?
Check Price and Availability of V028-0491, 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 V028-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V028-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V028-0491
  • 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 V028-0491 available by request