4552-4295 Screening compound: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

4552-4295 Screening compound: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide
4552-4295 Screening compound: 2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4552-4295
2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

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

4552-4295

Molecular Formula

C21H18FN3O2S (C21 H18 FN3 O2 S)

Compound Name

2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

IUPAC name

2-{[3-cyano-4-(2-fluorophenyl)-6-oxo-1456-tetrahydropyridin-2-yl]sulfanyl}-N-(2-methylphenyl)acetamide

SMILES

Cc(cccc1)c1NC(CSC(NC(CC1c(cccc2)c2F)=O)=C1C#N)=O

InChI

InChI=1S/C21H18FN3O2S/c1-13-6-2-5-9-18(13)24-20(27)12-28-21-16(11-23)15(10-19(26)25-21)14-7-3-4-8-17(14)22/h2-9,15H,10,12H2,1H3,(H,24,27)(H,25,26)/t15-/m1/s1

InChI Key

PSWDZFHPTVTIKU-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD03298599

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.906

Distribution Coefficient, logD

2.868

Water Solubility, LogSw

-3.18

Polar Surface Area

63.367

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-0.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

19.00

4552-4295 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4552-4295 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4552-4295?
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What is the minimum amount of 4552-4295 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4552-4295
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4552-4295
  • 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 4552-4295 available by request