D004-0011 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid

D004-0011 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
D004-0011 Screening compound: 3-[3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl]propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound D004-0011
3-[3-(pyridin-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

D004-0011

Molecular Formula

C10H9N3O3 (C10 H9 N3 O3)

Compound Name

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

IUPAC name

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

SMILES

OC(CCc1nc(-c2ncccc2)no1)=O

InChI

InChI=1S/C10H9N3O3/c14-9(15)5-4-8-12-10(13-16-8)7-3-1-2-6-11-7/h1-3,6H,4-5H2,(H,14,15)

InChI Key

SMLZSTCHCICYHA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00098188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

219.2

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.799

Distribution Coefficient, logD

-2.041

Water Solubility, LogSw

-1.11

Polar Surface Area

69.013

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

3.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

D004-0011 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

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

Soluble Diversity Library (15920 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with D004-0011 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D004-0011?
Check Price and Availability of D004-0011, 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 D004-0011 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D004-0011
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D004-0011
  • 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 D004-0011 available by request