5543-0075 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide

5543-0075 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide
5543-0075 Screening compound: N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5543-0075
N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(3,4,5-trimethoxyphenyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}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

5543-0075

Molecular Formula

C24H24ClN3O5S (C24 H24 ClN3 O5 S)

Compound Name

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

IUPAC name

N-(3-chloro-4-methylphenyl)-2-{[3-cyano-6-oxo-4-(345-trimethoxyphenyl)-1456-tetrahydropyridin-2-yl]sulfanyl}acetamide

SMILES

Cc(ccc(NC(CSC(NC(CC1c(cc2OC)cc(OC)c2OC)=O)=C1C#N)=O)c1)c1Cl

InChI

InChI=1S/C24H24ClN3O5S/c1-13-5-6-15(9-18(13)25)27-22(30)12-34-24-17(11-26)16(10-21(29)28-24)14-7-19(31-2)23(33-4)20(8-14)32-3/h5-9,16H,10,12H2,1-4H3,(H,27,30)(H,28,29)/t16-/m1/s1

InChI Key

PSWLFGCBCSDYTI-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD04425877

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.99

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.060

Distribution Coefficient, logD

4.005

Water Solubility, LogSw

-4.40

Polar Surface Area

87.043

Acid Dissociation Constant (pKa)

8.27

Base Dissociation Constant (pKb)

-8.81

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

29.20

References: we are preparing a list of scientific research reports with 5543-0075 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5543-0075?
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What is the minimum amount of 5543-0075 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5543-0075
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5543-0075
  • 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 5543-0075 available by request