8007-1076 Screening compound: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate

8007-1076 Screening compound: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate
8007-1076 Screening compound: ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1076
ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate

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

8007-1076

Molecular Formula

C16H13ClN2O2S (C16 H13 ClN2 O2 S)

Compound Name

ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-1,6-dihydropyridine-3-carboxylate

IUPAC name

ethyl 4-(4-chlorophenyl)-5-cyano-2-methyl-6-sulfanylidene-16-dihydropyridine-3-carboxylate

SMILES

CCOC(C(C(c(cc1)ccc1Cl)=C1C#N)=C(C)NC1=S)=O

InChI

InChI=1S/C16H13ClN2O2S/c1-3-21-16(20)13-9(2)19-15(22)12(8-18)14(13)10-4-6-11(17)7-5-10/h4-7H,3H2,1-2H3,(H,19,22)

InChI Key

NPAWEFBSTWSMNE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828408

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

332.81

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.811

Distribution Coefficient, logD

-2.224

Water Solubility, LogSw

-4.52

Polar Surface Area

49.224

Acid Dissociation Constant (pKa)

1.37

Base Dissociation Constant (pKb)

-6.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

8007-1076 in Drug Discovery

Included in Screening Libraries

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 8007-1076 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1076?
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What is the minimum amount of 8007-1076 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1076
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1076
  • 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 8007-1076 available by request