4023-0611 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0611 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0611 Screening compound: 4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4023-0611
4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

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

4023-0611

Molecular Formula

C27H29FN2O3 (C27 H29 FN2 O3)

Compound Name

4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

4-(4-ethoxyphenyl)-N-(4-fluorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CCOc1ccc(C2C(C(CC(C)(C)C3)=O)=C3NC(C)=C2C(Nc(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C27H29FN2O3/c1-5-33-20-12-6-17(7-13-20)24-23(26(32)30-19-10-8-18(28)9-11-19)16(2)29-21-14-27(3,4)15-22(31)25(21)24/h6-13,24,29H,5,14-15H2,1-4H3,(H,30,32)/t24-/m0/s1

InChI Key

MTTFLXDXMWWTIH-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05151034

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.54

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.837

Distribution Coefficient, logD

2.894

Water Solubility, LogSw

-4.63

Polar Surface Area

54.136

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-0.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

4023-0611 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 4023-0611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0611?
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What is the minimum amount of 4023-0611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0611
  • 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 4023-0611 available by request