4023-0009 Screening compound: 4-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0009 Screening compound: 4-(2,5-dimethoxyphenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0009 Screening compound: 4-(2,5-dimethoxyphenyl)-N-(3-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 4023-0009
4-(2,5-dimethoxyphenyl)-N-(3-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

4023-0009

Molecular Formula

C27H29FN2O4 (C27 H29 FN2 O4)

Compound Name

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

IUPAC name

4-(25-dimethoxyphenyl)-N-(3-fluorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(cc(cc3)OC)c3OC)C(Nc3cccc(F)c3)=O)=C2C1=O

InChI

InChI=1S/C27H29FN2O4/c1-15-23(26(32)30-17-8-6-7-16(28)11-17)24(19-12-18(33-4)9-10-22(19)34-5)25-20(29-15)13-27(2,3)14-21(25)31/h6-12,24,29H,13-14H2,1-5H3,(H,30,32)/t24-/m0/s1

InChI Key

XMOYVYYWWOJPOP-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD14709413

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.942

Distribution Coefficient, logD

2.999

Water Solubility, LogSw

-4.77

Polar Surface Area

62.187

Acid Dissociation Constant (pKa)

5.46

Base Dissociation Constant (pKb)

-0.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with 4023-0009 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0009?
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What is the minimum amount of 4023-0009 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0009
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0009
  • 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 4023-0009 available by request