S596-1275 Screening compound: (2S,4R)-1-(1-BENZOYL-4-PIPERIDYL)-4-HYDROXY-N-METHYLTETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE

S596-1275 Screening compound: (2S,4R)-1-(1-BENZOYL-4-PIPERIDYL)-4-HYDROXY-N-METHYLTETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE
S596-1275 Screening compound: (2S,4R)-1-(1-BENZOYL-4-PIPERIDYL)-4-HYDROXY-N-METHYLTETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-1275
(2S,4R)-1-(1-BENZOYL-4-PIPERIDYL)-4-HYDROXY-N-METHYLTETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE

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

S596-1275

Molecular Formula

C18H25N3O3 (C18 H25 N3 O3)

Compound Name

(2S,4R)-1-(1-BENZOYL-4-PIPERIDYL)-4-HYDROXY-N-METHYLTETRAHYDRO-1H-PYRROLE-2-CARBOXAMIDE

IUPAC name

n/a

SMILES

CNC([C@H](C[C@H](C1)O)N1C(CC1)CCN1C(c1ccccc1)=O)=O

InChI

InChI=1S/C18H25N3O3/c1-19-17(23)16-11-15(22)12-21(16)14-7-9-20(10-8-14)18(24)13-5-3-2-4-6-13/h2-6,14-16,22H,7-12H2,1H3,(H,19,23)/t15-,16-/m0/s1

InChI Key

FWWOCTSURSDGIN-HOTGVXAUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.263

Distribution Coefficient, logD

0.042

Water Solubility, LogSw

-1.79

Polar Surface Area

60.531

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

55.60

S596-1275 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S596-1275 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-1275?
Check Price and Availability of S596-1275, 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 S596-1275 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-1275
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-1275
  • 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 S596-1275 available by request