L372-0113 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

L372-0113 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide
L372-0113 Screening compound: N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L372-0113
N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-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

L372-0113

Molecular Formula

C24H25FN2O3 (C24 H25 FN2 O3)

Compound Name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-2,5-dioxo-1,2,5,6,7,8-hexahydroquinoline-3-carboxamide

IUPAC name

N-[2-(cyclohex-1-en-1-yl)ethyl]-1-(4-fluorophenyl)-25-dioxo-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CCC2)=O)=C2N(c(cc2)ccc2F)C1=O)NCCC1=CCCCC1

InChI

InChI=1S/C24H25FN2O3/c25-17-9-11-18(12-10-17)27-21-7-4-8-22(28)19(21)15-20(24(27)30)23(29)26-14-13-16-5-2-1-3-6-16/h5,9-12,15H,1-4,6-8,13-14H2,(H,26,29)

InChI Key

QSISHXACCMCYAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15125560

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.791

Distribution Coefficient, logD

2.791

Water Solubility, LogSw

-3.45

Polar Surface Area

53.027

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

-3.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L372-0113 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with L372-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L372-0113?
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What is the minimum amount of L372-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L372-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L372-0113
  • 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 L372-0113 available by request