2636-0064 Screening compound: 5-acetyl-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile

2636-0064 Screening compound: 5-acetyl-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile
2636-0064 Screening compound: 5-acetyl-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound 2636-0064
5-acetyl-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile

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

2636-0064

Molecular Formula

C22H18Cl2N2O2S2 (C22 H18 Cl2 N2 O2 S2)

Compound Name

5-acetyl-2-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methyl-2-thienyl)-1,4-dihydro-3-pyridinecarbonitrile

IUPAC name

5-acetyl-2-{[2-(24-dichlorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-4-(3-methylthiophen-2-yl)-14-dihydropyridine-3-carbonitrile

SMILES

CC(C(C1c2c(C)ccs2)=C(C)NC(SCC(c(ccc(Cl)c2)c2Cl)=O)=C1C#N)=O

InChI

InChI=1S/C22H18Cl2N2O2S2/c1-11-6-7-29-21(11)20-16(9-25)22(26-12(2)19(20)13(3)27)30-10-18(28)15-5-4-14(23)8-17(15)24/h4-8,20,26H,10H2,1-3H3/t20-/m0/s1

InChI Key

CNLRFWKYTAVWTJ-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD01456043

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.386

Distribution Coefficient, logD

3.153

Water Solubility, LogSw

-5.98

Polar Surface Area

54.922

Acid Dissociation Constant (pKa)

5.17

Base Dissociation Constant (pKb)

-4.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.73

2636-0064 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 2636-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2636-0064?
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What is the minimum amount of 2636-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2636-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2636-0064
  • 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 2636-0064 available by request