1630-1612 Screening compound: butyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-1612 Screening compound: butyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-1612 Screening compound: butyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1612
butyl 2-methyl-5-oxo-4-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

1630-1612

Molecular Formula

C21H25NO3 (C21 H25 NO3)

Compound Name

butyl 2-methyl-5-oxo-4-phenyl-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

butyl 2-methyl-5-oxo-4-phenyl-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCCOC(C(C1c2ccccc2)=C(C)NC(CCC2)=C1C2=O)=O

InChI

InChI=1S/C21H25NO3/c1-3-4-13-25-21(24)18-14(2)22-16-11-8-12-17(23)20(16)19(18)15-9-6-5-7-10-15/h5-7,9-10,19,22H,3-4,8,11-13H2,1-2H3/t19-/m0/s1

InChI Key

ZYKGNZXVAPOIDK-IBGZPJMESA-N

MDL Number (MFCD)

MFCD00771086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

339.43

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.208

Distribution Coefficient, logD

0.312

Water Solubility, LogSw

-4.25

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

42.90

References: we are preparing a list of scientific research reports with 1630-1612 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1612?
Check Price and Availability of 1630-1612, 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 1630-1612 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1612
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1612
  • 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 1630-1612 available by request