8020-7664 Screening compound: ethyl 4-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinyl)carbonyl]amino}benzoate

8020-7664 Screening compound: ethyl 4-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinyl)carbonyl]amino}benzoate
8020-7664 Screening compound: ethyl 4-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinyl)carbonyl]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-7664
ethyl 4-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinyl)carbonyl]amino}benzoate

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

8020-7664

Molecular Formula

C21H24N2O5 (C21 H24 N2 O5)

Compound Name

ethyl 4-{[(7,7-dimethyl-2,5-dioxo-1,2,3,4,5,6,7,8-octahydro-4-quinolinyl)carbonyl]amino}benzoate

IUPAC name

ethyl 4-(77-dimethyl-25-dioxo-12345678-octahydroquinoline-4-amido)benzoate

SMILES

CCOC(c(cc1)ccc1NC(C(C1)C(C(CC(C)(C)C2)=O)=C2NC1=O)=O)=O

InChI

InChI=1S/C21H24N2O5/c1-4-28-20(27)12-5-7-13(8-6-12)22-19(26)14-9-17(25)23-15-10-21(2,3)11-16(24)18(14)15/h5-8,14H,4,9-11H2,1-3H3,(H,22,26)(H,23,25)/t14-/m0/s1

InChI Key

FKHJQMCFOVTEGS-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD06613534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

384.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.244

Distribution Coefficient, logD

1.264

Water Solubility, LogSw

-2.88

Polar Surface Area

82.123

Acid Dissociation Constant (pKa)

6.47

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

8020-7664 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 8020-7664 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-7664?
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What is the minimum amount of 8020-7664 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-7664
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-7664
  • 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 8020-7664 available by request