V013-5300 Screening compound: 3-methyl-5-(thiophen-2-yl)-N-[2-(thiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide

V013-5300 Screening compound: 3-methyl-5-(thiophen-2-yl)-N-[2-(thiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide
V013-5300 Screening compound: 3-methyl-5-(thiophen-2-yl)-N-[2-(thiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V013-5300
3-methyl-5-(thiophen-2-yl)-N-[2-(thiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide

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

V013-5300

Molecular Formula

C15H14N2O2S2 (C15 H14 N2 O2 S2)

Compound Name

3-methyl-5-(thiophen-2-yl)-N-[2-(thiophen-2-yl)ethyl]-1,2-oxazole-4-carboxamide

IUPAC name

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

SMILES

Cc1noc(-c2cccs2)c1C(NCCc1cccs1)=O

InChI

InChI=1S/C15H14N2O2S2/c1-10-13(14(19-17-10)12-5-3-9-21-12)15(18)16-7-6-11-4-2-8-20-11/h2-5,8-9H,6-7H2,1H3,(H,16,18)

InChI Key

FAFCWAPJAPUDBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19959266

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.121

Distribution Coefficient, logD

3.121

Water Solubility, LogSw

-3.32

Polar Surface Area

48.875

Acid Dissociation Constant (pKa)

13.82

Base Dissociation Constant (pKb)

-1.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

V013-5300 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

NOTUM (Wnt signaling) Library (3881 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with V013-5300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V013-5300?
Check Price and Availability of V013-5300, 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 V013-5300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V013-5300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V013-5300
  • 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 V013-5300 available by request