4296-0323 Screening compound: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

4296-0323 Screening compound: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide
4296-0323 Screening compound: 2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4296-0323
2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)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

4296-0323

Molecular Formula

C24H25N3O3S (C24 H25 N3 O3 S)

Compound Name

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

IUPAC name

2-({3-cyano-6-oxo-4-[4-(propan-2-yl)phenyl]-1456-tetrahydropyridin-2-yl}sulfanyl)-N-(4-methoxyphenyl)acetamide

SMILES

CC(C)c1ccc(C(CC(N2)=O)C(C#N)=C2SCC(Nc(cc2)ccc2OC)=O)cc1

InChI

InChI=1S/C24H25N3O3S/c1-15(2)16-4-6-17(7-5-16)20-12-22(28)27-24(21(20)13-25)31-14-23(29)26-18-8-10-19(30-3)11-9-18/h4-11,15,20H,12,14H2,1-3H3,(H,26,29)(H,27,28)/t20-/m1/s1

InChI Key

BVXRDWFTYJODCL-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD03000290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.55

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.224

Distribution Coefficient, logD

4.168

Water Solubility, LogSw

-4.17

Polar Surface Area

71.609

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

3.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

4296-0323 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 4296-0323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4296-0323?
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What is the minimum amount of 4296-0323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4296-0323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4296-0323
  • 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 4296-0323 available by request