S214-0187 Screening compound: 4-{[(3R,4R)-4-HYDROXY-4-METHYL-3-(1-PYRROLIDINYL)TETRAHYDRO-1(2H)-PYRIDINYL]METHYL}BENZONITRILE

S214-0187 Screening compound: 4-{[(3R,4R)-4-HYDROXY-4-METHYL-3-(1-PYRROLIDINYL)TETRAHYDRO-1(2H)-PYRIDINYL]METHYL}BENZONITRILE
S214-0187 Screening compound: 4-{[(3R,4R)-4-HYDROXY-4-METHYL-3-(1-PYRROLIDINYL)TETRAHYDRO-1(2H)-PYRIDINYL]METHYL}BENZONITRILE alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-0187
4-{[(3R,4R)-4-HYDROXY-4-METHYL-3-(1-PYRROLIDINYL)TETRAHYDRO-1(2H)-PYRIDINYL]METHYL}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

S214-0187

Molecular Formula

C18H25N3O (C18 H25 N3 O)

Compound Name

4-{[(3R,4R)-4-HYDROXY-4-METHYL-3-(1-PYRROLIDINYL)TETRAHYDRO-1(2H)-PYRIDINYL]METHYL}BENZONITRILE

IUPAC name

n/a

SMILES

C[C@](CCN(Cc(cc1)ccc1C#N)C1)([C@H]1N1CCCC1)O

InChI

InChI=1S/C18H25N3O/c1-18(22)8-11-20(14-17(18)21-9-2-3-10-21)13-16-6-4-15(12-19)5-7-16/h4-7,17,22H,2-3,8-11,13-14H2,1H3/t17-,18-/m0/s1

InChI Key

UHYVIVCGXYZLBL-ROUUACIJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.679

Distribution Coefficient, logD

0.207

Water Solubility, LogSw

-1.26

Polar Surface Area

39.211

Acid Dissociation Constant (pKa)

15.25

Base Dissociation Constant (pKb)

8.86

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.10

S214-0187 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Protein-Protein Interaction Library (218420 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

SmartTM Library (51161 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S214-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-0187?
Check Price and Availability of S214-0187, 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 S214-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-0187
  • 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 S214-0187 available by request