8020-8747 Screening compound: 1-butyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-2-ium-2-olate

8020-8747 Screening compound: 1-butyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-2-ium-2-olate
8020-8747 Screening compound: 1-butyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-2-ium-2-olate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8020-8747
1-butyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-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

8020-8747

Molecular Formula

C14H13N3O3 (C14 H13 N3 O3)

Compound Name

1-butyl-4,9-dioxo-4,9-dihydro-1H-naphtho[2,3-d][1,2,3]triazol-2-ium-2-olate

IUPAC name

1-butyl-49-dioxo-1H4H9H-naphtho[23-d][123]triazol-2-ium-2-olate

SMILES

CCCCn1[n+]([O-])nc(C(c2c3cccc2)=O)c1C3=O

InChI

InChI=1S/C14H13N3O3/c1-2-3-8-16-12-11(15-17(16)20)13(18)9-6-4-5-7-10(9)14(12)19/h4-7H,2-3,8H2,1H3

InChI Key

RNSMDJMWNVSMJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32223239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.958

Distribution Coefficient, logD

1.958

Water Solubility, LogSw

-2.53

Polar Surface Area

62.674

Acid Dissociation Constant (pKa)

22.70

Base Dissociation Constant (pKb)

-1.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.57

8020-8747 in Drug Discovery

Included in Screening Libraries

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8020-8747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8020-8747?
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What is the minimum amount of 8020-8747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8020-8747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8020-8747
  • 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 8020-8747 available by request