4023-0106 Screening compound: 4-(2,4-dichlorophenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide

4023-0106 Screening compound: 4-(2,4-dichlorophenyl)-N-(3-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide
4023-0106 Screening compound: 4-(2,4-dichlorophenyl)-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 4023-0106
4-(2,4-dichlorophenyl)-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

4023-0106

Molecular Formula

C25H23Cl2FN2O2 (C25 H23 Cl2 FN2 O2)

Compound Name

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

IUPAC name

4-(24-dichlorophenyl)-N-(3-fluorophenyl)-277-trimethyl-5-oxo-145678-hexahydroquinoline-3-carboxamide

SMILES

CC(C)(C1)CC(NC(C)=C(C2c(ccc(Cl)c3)c3Cl)C(Nc3cc(F)ccc3)=O)=C2C1=O

InChI

InChI=1S/C25H23Cl2FN2O2/c1-13-21(24(32)30-16-6-4-5-15(28)10-16)22(17-8-7-14(26)9-18(17)27)23-19(29-13)11-25(2,3)12-20(23)31/h4-10,22,29H,11-12H2,1-3H3,(H,30,32)/t22-/m0/s1

InChI Key

BDMXGYFEYLVVMW-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD03081360

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.253

Distribution Coefficient, logD

4.471

Water Solubility, LogSw

-6.19

Polar Surface Area

47.012

Acid Dissociation Constant (pKa)

5.63

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

28.00

References: we are preparing a list of scientific research reports with 4023-0106 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4023-0106?
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What is the minimum amount of 4023-0106 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4023-0106
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4023-0106
  • 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 4023-0106 available by request