8019-1834 Screening compound: 3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-6,11-dioxo-3H,6H,11H-anthra[1,2-d][1,2,3]triazol-2-ium-2-olate

8019-1834 Screening compound: 3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-6,11-dioxo-3H,6H,11H-anthra[1,2-d][1,2,3]triazol-2-ium-2-olate
8019-1834 Screening compound: 3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-6,11-dioxo-3H,6H,11H-anthra[1,2-d][1,2,3]triazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-1834
3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-6,11-dioxo-3H,6H,11H-anthra[1,2-d][1,2,3]triazol-2-ium-2-olate

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

8019-1834

Molecular Formula

C23H18N4O4 (C23 H18 N4 O4)

Compound Name

3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-6,11-dioxo-3H,6H,11H-anthra[1,2-d][1,2,3]triazol-2-ium-2-olate

IUPAC name

3-(2-hydroxyethyl)-5-[(3-methylphenyl)amino]-611-dioxo-3H6H11H-anthra[12-d][123]triazol-2-ium-2-olate

SMILES

Cc1cccc(Nc(c(C(c2c3cccc2)=O)c2C3=O)cc(n3CCO)c2n[n+]3[O-])c1

InChI

InChI=1S/C23H18N4O4/c1-13-5-4-6-14(11-13)24-17-12-18-21(25-27(31)26(18)9-10-28)20-19(17)22(29)15-7-2-3-8-16(15)23(20)30/h2-8,11-12,24,28H,9-10H2,1H3

InChI Key

BFOSBIZOPQDRHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09064283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.42

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.953

Distribution Coefficient, logD

3.953

Water Solubility, LogSw

-4.23

Polar Surface Area

87.302

Acid Dissociation Constant (pKa)

15.18

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.00

8019-1834 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-1834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-1834?
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What is the minimum amount of 8019-1834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-1834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-1834
  • 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 8019-1834 available by request