V014-0434 Screening compound: 3-methyl-N-[2-(4-pyridyl)ethyl]-5-(2-thienyl)-4-isoxazolecarboxamide

V014-0434 Screening compound: 3-methyl-N-[2-(4-pyridyl)ethyl]-5-(2-thienyl)-4-isoxazolecarboxamide
V014-0434 Screening compound: 3-methyl-N-[2-(4-pyridyl)ethyl]-5-(2-thienyl)-4-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-0434
3-methyl-N-[2-(4-pyridyl)ethyl]-5-(2-thienyl)-4-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

V014-0434

Molecular Formula

C16H15N3O2S (C16 H15 N3 O2 S)

Compound Name

3-methyl-N-[2-(4-pyridyl)ethyl]-5-(2-thienyl)-4-isoxazolecarboxamide

IUPAC name

3-methyl-N-[2-(pyridin-4-yl)ethyl]-5-(thiophen-2-yl)-12-oxazole-4-carboxamide

SMILES

Cc1noc(-c2cccs2)c1C(NCCc1ccncc1)=O

InChI

InChI=1S/C16H15N3O2S/c1-11-14(15(21-19-11)13-3-2-10-22-13)16(20)18-9-6-12-4-7-17-8-5-12/h2-5,7-8,10H,6,9H2,1H3,(H,18,20)

InChI Key

AMYFAFSRSWLCPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959240

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

313.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.805

Distribution Coefficient, logD

1.760

Water Solubility, LogSw

-2.11

Polar Surface Area

57.285

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

6.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

V014-0434 in Drug Discovery

Included in Screening Libraries

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

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with V014-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-0434?
Check Price and Availability of V014-0434, 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 V014-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-0434
  • 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 V014-0434 available by request