2786-4450 Screening compound: propyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2786-4450 Screening compound: propyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2786-4450 Screening compound: propyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2786-4450
propyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-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

2786-4450

Molecular Formula

C22H26BrNO3 (C22 H26 BrNO3)

Compound Name

propyl 4-(2-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propyl 4-(2-bromophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCCOC(C(C1c(cccc2)c2Br)=C(C)NC(CC(C)(C)C2)=C1C2=O)=O

InChI

InChI=1S/C22H26BrNO3/c1-5-10-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-8-6-7-9-15(14)23/h6-9,19,24H,5,10-12H2,1-4H3/t19-/m0/s1

InChI Key

OSFRPGYLCHUTNC-IBGZPJMESA-N

MDL Number (MFCD)

MFCD01823602

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

432.36

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.099

Distribution Coefficient, logD

0.975

Water Solubility, LogSw

-5.00

Polar Surface Area

44.969

Acid Dissociation Constant (pKa)

3.28

Base Dissociation Constant (pKb)

-3.15

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.50

References: we are preparing a list of scientific research reports with 2786-4450 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2786-4450?
Check Price and Availability of 2786-4450, 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 2786-4450 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2786-4450
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2786-4450
  • 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 2786-4450 available by request