8006-9850 Screening compound: ethyl 4-(3,5-dichloro-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

8006-9850 Screening compound: ethyl 4-(3,5-dichloro-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
8006-9850 Screening compound: ethyl 4-(3,5-dichloro-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9850
ethyl 4-(3,5-dichloro-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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

8006-9850

Molecular Formula

C17H17Cl2NO3S (C17 H17 Cl2 NO3 S)

Compound Name

ethyl 4-(3,5-dichloro-2-thienyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

IUPAC name

ethyl 4-(35-dichlorothiophen-2-yl)-2-methyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCOC(C(C1c(sc(Cl)c2)c2Cl)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C17H17Cl2NO3S/c1-3-23-17(22)13-8(2)20-10-5-4-6-11(21)14(10)15(13)16-9(18)7-12(19)24-16/h7,15,20H,3-6H2,1-2H3/t15-/m0/s1

InChI Key

LTDQJIOYDUSQLJ-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD00827743

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.357

Distribution Coefficient, logD

0.472

Water Solubility, LogSw

-4.45

Polar Surface Area

45.693

Acid Dissociation Constant (pKa)

3.52

Base Dissociation Constant (pKb)

-3.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.18

References: we are preparing a list of scientific research reports with 8006-9850 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9850?
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What is the minimum amount of 8006-9850 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9850
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9850
  • 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 8006-9850 available by request