S510-1096 Screening compound: 3-{3-[1-(ethylcarbamoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}propanoic acid

S510-1096 Screening compound: 3-{3-[1-(ethylcarbamoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}propanoic acid
S510-1096 Screening compound: 3-{3-[1-(ethylcarbamoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}propanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-1096
3-{3-[1-(ethylcarbamoyl)pyrrolidin-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

S510-1096

Molecular Formula

C12H18N4O4 (C12 H18 N4 O4)

Compound Name

3-{3-[1-(ethylcarbamoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}propanoic acid

IUPAC name

3-{3-[1-(ethylcarbamoyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}propanoic acid

SMILES

CCNC(N(CCC1)C1c1noc(CCC(O)=O)n1)=O

InChI

InChI=1S/C12H18N4O4/c1-2-13-12(19)16-7-3-4-8(16)11-14-9(20-15-11)5-6-10(17)18/h8H,2-7H2,1H3,(H,13,19)(H,17,18)/t8-/m0/s1

InChI Key

QXYBRCCRKBGKFD-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD28897660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

282.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.386

Distribution Coefficient, logD

-2.454

Water Solubility, LogSw

-1.32

Polar Surface Area

86.714

Acid Dissociation Constant (pKa)

4.56

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

66.70

S510-1096 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Cyclic compounds
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S510-1096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-1096?
Check Price and Availability of S510-1096, 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 S510-1096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-1096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-1096
  • 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 S510-1096 available by request