S725-0045 Screening compound: 4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-1-carbonyl]benzonitrile

S725-0045 Screening compound: 4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-1-carbonyl]benzonitrile
S725-0045 Screening compound: 4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound S725-0045
4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-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

S725-0045

Molecular Formula

C19H25N3O (C19 H25 N3 O)

Compound Name

4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-1-carbonyl]benzonitrile

IUPAC name

4-[4-(cyclopropylmethyl)-4-(dimethylamino)piperidine-1-carbonyl]benzonitrile

SMILES

CN(C)C(CC1CC1)(CC1)CCN1C(c(cc1)ccc1C#N)=O

InChI

InChI=1S/C19H25N3O/c1-21(2)19(13-15-3-4-15)9-11-22(12-10-19)18(23)17-7-5-16(14-20)6-8-17/h5-8,15H,3-4,9-13H2,1-2H3

InChI Key

RYFOYGRGHLNINY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31995304

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.301

Distribution Coefficient, logD

-0.030

Water Solubility, LogSw

-2.53

Polar Surface Area

36.588

Acid Dissociation Constant (pKa)

26.60

Base Dissociation Constant (pKb)

9.73

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

S725-0045 in Drug Discovery

Included in Screening Libraries

CNS BBB Library (22607 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • 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 S725-0045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S725-0045?
Check Price and Availability of S725-0045, 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 S725-0045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S725-0045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S725-0045
  • 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 S725-0045 available by request