8010-4384 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

8010-4384 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate
8010-4384 Screening compound: ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4384
ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

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

8010-4384

Molecular Formula

C22H18ClF3N2O4S2 (C22 H18 ClF3 N2 O4 S2)

Compound Name

ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1,4,5,6-tetrahydropyridin-2-yl]sulfanyl}acetate

IUPAC name

ethyl 2-{[4-(2-chlorophenyl)-3-cyano-6-hydroxy-5-(thiophene-2-carbonyl)-6-(trifluoromethyl)-1456-tetrahydropyridin-2-yl]sulfanyl}acetate

SMILES

CCOC(CSC(NC(C(C1c(cccc2)c2Cl)C(c2cccs2)=O)(C(F)(F)F)O)=C1C#N)=O

InChI

InChI=1S/C22H18ClF3N2O4S2/c1-2-32-16(29)11-34-20-13(10-27)17(12-6-3-4-7-14(12)23)18(19(30)15-8-5-9-33-15)21(31,28-20)22(24,25)26/h3-9,17-18,28,31H,2,11H2,1H3

InChI Key

KRIAFXNLEVDUIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02047741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

530.98

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.928

Distribution Coefficient, logD

4.889

Water Solubility, LogSw

-4.40

Polar Surface Area

79.210

Acid Dissociation Constant (pKa)

8.43

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with 8010-4384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4384?
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What is the minimum amount of 8010-4384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4384
  • 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 8010-4384 available by request