K813-0144 Screening compound: methyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

K813-0144 Screening compound: methyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
K813-0144 Screening compound: methyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound K813-0144
methyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-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

K813-0144

Molecular Formula

C22H19Cl2NO3S (C22 H19 Cl2 NO3 S)

Compound Name

methyl 4-(3,4-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

methyl 4-(34-dichlorophenyl)-2-methyl-5-oxo-7-(thiophen-2-yl)-145678-hexahydroquinoline-3-carboxylate

SMILES

CC(NC(CC(C1)c2cccs2)=C(C2c(cc3)cc(Cl)c3Cl)C1=O)=C2C(OC)=O

InChI

InChI=1S/C22H19Cl2NO3S/c1-11-19(22(27)28-2)20(12-5-6-14(23)15(24)8-12)21-16(25-11)9-13(10-17(21)26)18-4-3-7-29-18/h3-8,13,20,25H,9-10H2,1-2H3

InChI Key

JSUGGEPXMUWXJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02188587

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.37

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

5.582

Distribution Coefficient, logD

1.236

Water Solubility, LogSw

-6.11

Polar Surface Area

45.842

Acid Dissociation Constant (pKa)

3.05

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.30

References: we are preparing a list of scientific research reports with K813-0144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K813-0144?
Check Price and Availability of K813-0144, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K813-0144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K813-0144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K813-0144
  • 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 K813-0144 available by request