S757-0129 Screening compound: 1-(2-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-one

S757-0129 Screening compound: 1-(2-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-one
S757-0129 Screening compound: 1-(2-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S757-0129
1-(2-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-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

S757-0129

Molecular Formula

C20H28N4O3 (C20 H28 N4 O3)

Compound Name

1-(2-{4-[3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-one

IUPAC name

1-(2-{4-[(2S3S)-3-methoxy-2-(pyridin-3-yl)azetidin-1-yl]piperidin-1-yl}-2-oxoethyl)pyrrolidin-2-one

SMILES

CO[C@H](C1)[C@@H](c2cnccc2)N1C(CC1)CCN1C(CN(CCC1)C1=O)=O

InChI

InChI=1S/C20H28N4O3/c1-27-17-13-24(20(17)15-4-2-8-21-12-15)16-6-10-22(11-7-16)19(26)14-23-9-3-5-18(23)25/h2,4,8,12,16-17,20H,3,5-7,9-11,13-14H2,1H3/t17-,20+/m0/s1

InChI Key

XUXXNGNYFDYUBP-FXAWDEMLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-0.313

Distribution Coefficient, logD

-0.871

Water Solubility, LogSw

-0.47

Polar Surface Area

53.016

Acid Dissociation Constant (pKa)

16.30

Base Dissociation Constant (pKb)

7.82

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

65.00

S757-0129 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S757-0129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S757-0129?
Check Price and Availability of S757-0129, 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 S757-0129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S757-0129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S757-0129
  • 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 S757-0129 available by request