8009-2744 Screening compound: (4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinethiolate

8009-2744 Screening compound: (4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinethiolate
8009-2744 Screening compound: (4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinethiolate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-2744
(4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinethiolate

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

8009-2744

Molecular Formula

C23H18FN3OS (C23 H18 FN3 OS)

Compound Name

(4S,5R,6R)-3-cyano-4-(2-fluorophenyl)-6-hydroxy-6-phenyl-5-(1-pyridiniumyl)-1,4,5,6-tetrahydro-2-pyridinethiolate

IUPAC name

[(2'R3'R4'S)-5'-cyano-4'-(2-fluorophenyl)-2'-hydroxy-2'-phenyl-1'2'3'4'-tetrahydro-1lambda5-[13'-bipyridin]-1-ylium-6'-yl]sulfanide

SMILES

N#CC([C@@H]([C@H]([C@](c1ccccc1)(N1)O)[n+]2ccccc2)c(cccc2)c2F)=C1[S-]

InChI

InChI=1S/C23H18FN3OS/c24-19-12-6-5-11-17(19)20-18(15-25)22(29)26-23(28,16-9-3-1-4-10-16)21(20)27-13-7-2-8-14-27/h1-14,20-21,26,28H/t20-,21+,23-/m1/s1

InChI Key

UVPKDPIIAVZOOQ-FUPPJEDESA-N

MDL Number (MFCD)

MFCD00486794

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.09

Polar Surface Area

46.225

Acid Dissociation Constant (pKa)

12.07

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

13.00

8009-2744 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
Targets:
  • Kinases
  • Others
Mechanism of action:
  • Receptor's ligands
  • Epigenetic
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-2744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-2744?
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What is the minimum amount of 8009-2744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-2744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-2744
  • 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 8009-2744 available by request