S214-1313 Screening compound: [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-thienyl)methanone

S214-1313 Screening compound: [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-thienyl)methanone
S214-1313 Screening compound: [(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-thienyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S214-1313
[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-thienyl)methanone

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

S214-1313

Molecular Formula

C18H22N2O2S (C18 H22 N2 O2 S)

Compound Name

[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenyltetrahydro-1(2H)-pyridinyl](3-thienyl)methanone

IUPAC name

n/a

SMILES

CN(C)[C@@H](CN(CC1)C(c2cscc2)=O)[C@@]1(c1ccccc1)O

InChI

InChI=1S/C18H22N2O2S/c1-19(2)16-12-20(17(21)14-8-11-23-13-14)10-9-18(16,22)15-6-4-3-5-7-15/h3-8,11,13,16,22H,9-10,12H2,1-2H3/t16-,18+/m0/s1

InChI Key

ZDXQTFWATMTOJR-FUHWJXTLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

330.45

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

1.921

Distribution Coefficient, logD

1.867

Water Solubility, LogSw

-2.16

Polar Surface Area

34.477

Acid Dissociation Constant (pKa)

14.99

Base Dissociation Constant (pKb)

6.52

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

38.90

S214-1313 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S214-1313 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S214-1313?
Check Price and Availability of S214-1313, 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 S214-1313 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S214-1313
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S214-1313
  • 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 S214-1313 available by request