S823-3959 Screening compound: 4-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile

S823-3959 Screening compound: 4-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile
S823-3959 Screening compound: 4-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S823-3959
4-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile

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

S823-3959

Molecular Formula

C15H19N3O2 (C15 H19 N3 O2)

Compound Name

4-[3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile

IUPAC name

4-[(3S4R)-3-(dimethylamino)-4-(hydroxymethyl)pyrrolidine-1-carbonyl]benzonitrile

SMILES

CN(C)[C@@H](C1)[C@@H](CO)CN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C15H19N3O2/c1-17(2)14-9-18(8-13(14)10-19)15(20)12-5-3-11(7-16)4-6-12/h3-6,13-14,19H,8-10H2,1-2H3/t13-,14+/m0/s1

InChI Key

OEFUCFZPSOGJHS-UONOGXRCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.33

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

0.044

Distribution Coefficient, logD

-0.913

Water Solubility, LogSw

-1.21

Polar Surface Area

53.202

Acid Dissociation Constant (pKa)

16.08

Base Dissociation Constant (pKb)

8.31

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

S823-3959 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with S823-3959 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S823-3959?
Check Price and Availability of S823-3959, 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 S823-3959 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S823-3959
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S823-3959
  • 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 S823-3959 available by request