S963-0371 Screening compound: N,1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-carboxamide

S963-0371 Screening compound: N,1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-carboxamide
S963-0371 Screening compound: N,1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S963-0371
N,1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-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

S963-0371

Molecular Formula

C17H25N3O2 (C17 H25 N3 O2)

Compound Name

N,1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-carboxamide

IUPAC name

(3S4R)-N1-dimethyl-4-(4-phenylbutanamido)pyrrolidine-3-carboxamide

SMILES

CNC([C@@H](CN(C)C1)[C@H]1NC(CCCc1ccccc1)=O)=O

InChI

InChI=1S/C17H25N3O2/c1-18-17(22)14-11-20(2)12-15(14)19-16(21)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3,(H,18,22)(H,19,21)/t14-,15-/m0/s1

InChI Key

YEHUWPGVRQMZKZ-GJZGRUSLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

303.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.812

Distribution Coefficient, logD

-1.664

Water Solubility, LogSw

-1.94

Polar Surface Area

53.098

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

9.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

S963-0371 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)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S963-0371 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S963-0371?
Check Price and Availability of S963-0371, 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 S963-0371 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S963-0371
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S963-0371
  • 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 S963-0371 available by request