2431-3860 Screening compound: propan-2-yl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

2431-3860 Screening compound: propan-2-yl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
2431-3860 Screening compound: propan-2-yl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 2431-3860
propan-2-yl 4-[4-(diethylamino)phenyl]-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

2431-3860

Molecular Formula

C26H36N2O3 (C26 H36 N2 O3)

Compound Name

propan-2-yl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

IUPAC name

propan-2-yl 4-[4-(diethylamino)phenyl]-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxylate

SMILES

CCN(CC)c1ccc(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(OC(C)C)=O)cc1

InChI

InChI=1S/C26H36N2O3/c1-8-28(9-2)19-12-10-18(11-13-19)23-22(25(30)31-16(3)4)17(5)27-20-14-26(6,7)15-21(29)24(20)23/h10-13,16,23,27H,8-9,14-15H2,1-7H3/t23-/m0/s1

InChI Key

IUMIDXWISZLMOC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD00770896

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.58

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.081

Distribution Coefficient, logD

0.793

Water Solubility, LogSw

-4.93

Polar Surface Area

47.090

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

53.80

2431-3860 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 2431-3860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2431-3860?
Check Price and Availability of 2431-3860, 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 2431-3860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2431-3860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2431-3860
  • 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 2431-3860 available by request