8014-2392 Screening compound: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

8014-2392 Screening compound: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide
8014-2392 Screening compound: N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8014-2392
N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-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

8014-2392

Molecular Formula

C26H18FN3O5 (C26 H18 FN3 O5)

Compound Name

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydroanthracene-2-carboxamide

IUPAC name

N-[2-(5-fluoro-2-methyl-1H-indol-3-yl)ethyl]-1-nitro-910-dioxo-910-dihydroanthracene-2-carboxamide

SMILES

Cc1c(CCNC(c(ccc(C(c2c3cccc2)=O)c2C3=O)c2[N+]([O-])=O)=O)c(cc(cc2)F)c2[nH]1

InChI

InChI=1S/C26H18FN3O5/c1-13-15(20-12-14(27)6-9-21(20)29-13)10-11-28-26(33)19-8-7-18-22(23(19)30(34)35)25(32)17-5-3-2-4-16(17)24(18)31/h2-9,12,29H,10-11H2,1H3,(H,28,33)

InChI Key

AIPKAOUHJYHHRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03768317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.44

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.360

Distribution Coefficient, logD

5.358

Water Solubility, LogSw

-5.50

Polar Surface Area

93.141

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

-3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.50

8014-2392 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

DGK Inhibitors Library (10558 compounds)

PLpro Library (6343 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8014-2392 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8014-2392?
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What is the minimum amount of 8014-2392 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8014-2392
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8014-2392
  • 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 8014-2392 available by request