8013-1778 Screening compound: N~2~-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

8013-1778 Screening compound: N~2~-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide
8013-1778 Screening compound: N~2~-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-1778
N~2~-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

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

8013-1778

Molecular Formula

C26H19N3O5 (C26 H19 N3 O5)

Compound Name

N~2~-[2-(2-methyl-1H-indol-3-yl)ethyl]-1-nitro-9,10-dioxo-9,10-dihydro-2-anthracenecarboxamide

IUPAC name

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

SMILES

Cc1c(CCNC(c(c([N+]([O-])=O)c2C(c3c4cccc3)=O)ccc2C4=O)=O)c(cccc2)c2[nH]1

InChI

InChI=1S/C26H19N3O5/c1-14-15(16-6-4-5-9-21(16)28-14)12-13-27-26(32)20-11-10-19-22(23(20)29(33)34)25(31)18-8-3-2-7-17(18)24(19)30/h2-11,28H,12-13H2,1H3,(H,27,32)

InChI Key

KCGSIUAAEXGOFA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03763540

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

453.45

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

5.127

Distribution Coefficient, logD

5.125

Water Solubility, LogSw

-5.31

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

11.54

8013-1778 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PLpro Library (6343 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8013-1778 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-1778?
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What is the minimum amount of 8013-1778 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-1778
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-1778
  • 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 8013-1778 available by request