D004-0031 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

D004-0031 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
D004-0031 Screening compound: 3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D004-0031
3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

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

D004-0031

Molecular Formula

C9H8N2O3S (C9 H8 N2 O3 S)

Compound Name

3-[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

IUPAC name

3-[3-(thiophen-2-yl)-124-oxadiazol-5-yl]propanoic acid

SMILES

OC(CCc1nc(-c2cccs2)no1)=O

InChI

InChI=1S/C9H8N2O3S/c12-8(13)4-3-7-10-9(11-14-7)6-2-1-5-15-6/h1-2,5H,3-4H2,(H,12,13)

InChI Key

KXJGVLSBXNIPCO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02679790

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

224.24

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.836

Distribution Coefficient, logD

-1.004

Water Solubility, LogSw

-2.02

Polar Surface Area

60.984

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D004-0031 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D004-0031 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D004-0031?
Check Price and Availability of D004-0031, 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 D004-0031 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D004-0031
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D004-0031
  • 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 D004-0031 available by request