8020-6446 Screening compound: 2,5-dioxo-N~3~-(3,4,5-trifluorophenyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

8020-6446 Screening compound: 2,5-dioxo-N~3~-(3,4,5-trifluorophenyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide
8020-6446 Screening compound: 2,5-dioxo-N~3~-(3,4,5-trifluorophenyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-6446
2,5-dioxo-N~3~-(3,4,5-trifluorophenyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

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

8020-6446

Molecular Formula

C16H11F3N2O3 (C16 H11 F3 N2 O3)

Compound Name

2,5-dioxo-N~3~-(3,4,5-trifluorophenyl)-1,2,5,6,7,8-hexahydro-3-quinolinecarboxamide

IUPAC name

25-dioxo-N-(345-trifluorophenyl)-125678-hexahydroquinoline-3-carboxamide

SMILES

O=C(C1=CC(C(CCC2)=O)=C2NC1=O)Nc(cc1F)cc(F)c1F

InChI

InChI=1S/C16H11F3N2O3/c17-10-4-7(5-11(18)14(10)19)20-15(23)9-6-8-12(21-16(9)24)2-1-3-13(8)22/h4-6H,1-3H2,(H,20,23)(H,21,24)

InChI Key

BDHKGCMFVXJFRC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20503729

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.27

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.060

Distribution Coefficient, logD

-2.116

Water Solubility, LogSw

-2.63

Polar Surface Area

61.426

Acid Dissociation Constant (pKa)

3.22

Base Dissociation Constant (pKb)

-4.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

References: we are preparing a list of scientific research reports with 8020-6446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-6446?
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What is the minimum amount of 8020-6446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-6446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-6446
  • 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 8020-6446 available by request