3192-5330 Screening compound: butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

3192-5330 Screening compound: butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
3192-5330 Screening compound: butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3192-5330
butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-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

3192-5330

Molecular Formula

C22H24F3NO3 (C22 H24 F3 NO3)

Compound Name

butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butyl 2-methyl-5-oxo-4-[3-(trifluoromethyl)phenyl]-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c2cccc(C(F)(F)F)c2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C22H24F3NO3/c1-3-4-11-29-21(28)18-13(2)26-16-9-6-10-17(27)20(16)19(18)14-7-5-8-15(12-14)22(23,24)25/h5,7-8,12,19,26H,3-4,6,9-11H2,1-2H3/t19-/m0/s1

InChI Key

NKPSNFHVAPXPRO-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01975537

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

1.201

Water Solubility, LogSw

-5.02

Polar Surface Area

44.969

Acid Dissociation Constant (pKa)

3.50

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

3192-5330 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3192-5330 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3192-5330?
Check Price and Availability of 3192-5330, 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 3192-5330 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3192-5330
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3192-5330
  • 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 3192-5330 available by request