S510-0319 Screening compound: 3-{3-[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one

S510-0319 Screening compound: 3-{3-[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one
S510-0319 Screening compound: 3-{3-[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S510-0319
3-{3-[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one

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

S510-0319

Molecular Formula

C21H25F2N5O3 (C21 H25 F2 N5 O3)

Compound Name

3-{3-[1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-1,2,4-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one

IUPAC name

3-{3-[1-(25-difluorobenzoyl)pyrrolidin-2-yl]-124-oxadiazol-5-yl}-1-(4-methylpiperazin-1-yl)propan-1-one

SMILES

CN(CC1)CCN1C(CCc1nc(C(CCC2)N2C(c(cc(cc2)F)c2F)=O)no1)=O

InChI

InChI=1S/C21H25F2N5O3/c1-26-9-11-27(12-10-26)19(29)7-6-18-24-20(25-31-18)17-3-2-8-28(17)21(30)15-13-14(22)4-5-16(15)23/h4-5,13,17H,2-3,6-12H2,1H3/t17-/m0/s1

InChI Key

JHTBUCJAQZXBJT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD31983449

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.489

Distribution Coefficient, logD

1.242

Water Solubility, LogSw

-2.09

Polar Surface Area

67.887

Acid Dissociation Constant (pKa)

23.79

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

S510-0319 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cancer
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics
  • Cyclic compounds
  • Mimetics

References: we are preparing a list of scientific research reports with S510-0319 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S510-0319?
Check Price and Availability of S510-0319, 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 S510-0319 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S510-0319
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S510-0319
  • 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 S510-0319 available by request