1630-0881 Screening compound: cyclopentyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate

1630-0881 Screening compound: cyclopentyl 4-[4-(diethylamino)phenyl]-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
1630-0881 Screening compound: cyclopentyl 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 1630-0881
cyclopentyl 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

1630-0881

Molecular Formula

C28H38N2O3 (C28 H38 N2 O3)

Compound Name

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

IUPAC name

cyclopentyl 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(OC2CCCC2)=O)cc1

InChI

InChI=1S/C28H38N2O3/c1-6-30(7-2)20-14-12-19(13-15-20)25-24(27(32)33-21-10-8-9-11-21)18(3)29-22-16-28(4,5)17-23(31)26(22)25/h12-15,21,25,29H,6-11,16-17H2,1-5H3/t25-/m0/s1

InChI Key

CFYVZQVTBQZJLF-VWLOTQADSA-N

MDL Number (MFCD)

MFCD00619519

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.62

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

5.404

Distribution Coefficient, logD

1.117

Water Solubility, LogSw

-5.44

Polar Surface Area

47.107

Acid Dissociation Constant (pKa)

3.11

Base Dissociation Constant (pKb)

7.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.10

1630-0881 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1630-0881 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-0881?
Check Price and Availability of 1630-0881, 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 1630-0881 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-0881
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-0881
  • 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 1630-0881 available by request