8018-8819 Screening compound: 3-ethyl-5-[(3-methylphenyl)amino]-3H,6H,11H-anthra[1,2-d][1,2,3]triazole-6,11-dione

8018-8819 Screening compound: 3-ethyl-5-[(3-methylphenyl)amino]-3H,6H,11H-anthra[1,2-d][1,2,3]triazole-6,11-dione
8018-8819 Screening compound: 3-ethyl-5-[(3-methylphenyl)amino]-3H,6H,11H-anthra[1,2-d][1,2,3]triazole-6,11-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-8819
3-ethyl-5-[(3-methylphenyl)amino]-3H,6H,11H-anthra[1,2-d][1,2,3]triazole-6,11-dione

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

8018-8819

Molecular Formula

C23H18N4O2 (C23 H18 N4 O2)

Compound Name

3-ethyl-5-[(3-methylphenyl)amino]-3H,6H,11H-anthra[1,2-d][1,2,3]triazole-6,11-dione

IUPAC name

3-ethyl-5-[(3-methylphenyl)amino]-3H6H11H-anthra[12-d][123]triazole-611-dione

SMILES

CCn1nnc(c(C(c2c3cccc2)=O)c2C3=O)c1cc2Nc1cc(C)ccc1

InChI

InChI=1S/C23H18N4O2/c1-3-27-18-12-17(24-14-8-6-7-13(2)11-14)19-20(21(18)25-26-27)23(29)16-10-5-4-9-15(16)22(19)28/h4-12,24H,3H2,1-2H3

InChI Key

HGQZXLYMARWVMM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09062876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.216

Distribution Coefficient, logD

5.216

Water Solubility, LogSw

-5.13

Polar Surface Area

60.588

Acid Dissociation Constant (pKa)

16.71

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8018-8819 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

DGK Inhibitors Library (10558 compounds)

Nucleic Acid Ligands (8311 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • Epigenetic
  • PPI modulators
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8018-8819 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-8819?
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What is the minimum amount of 8018-8819 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-8819
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-8819
  • 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 8018-8819 available by request