8019-6254 Screening compound: 5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate

8019-6254 Screening compound: 5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate
8019-6254 Screening compound: 5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-6254
5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate

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

8019-6254

Molecular Formula

C27H20N2O12S2 (C27 H20 N2 O12 S2)

Compound Name

5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate

IUPAC name

5-nitro-2-(4-{2-[4-(4-nitro-2-sulfonatophenoxy)phenyl]propan-2-yl}phenoxy)benzene-1-sulfonate

SMILES

CC(C)(c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1S([O-])(=O)=O)c(cc1)ccc1Oc(ccc([N+]([O-])=O)c1)c1S([O-])(=O)=O

InChI

InChI=1S/C27H22N2O12S2/c1-27(2,17-3-9-21(10-4-17)40-23-13-7-19(28(30)31)15-25(23)42(34,35)36)18-5-11-22(12-6-18)41-24-14-8-20(29(32)33)16-26(24)43(37,38)39/h3-16H,1-2H3,(H,34,35,36)(H,37,38,39)/p-2

InChI Key

AGAAAQWHEGIRFH-UHFFFAOYSA-L

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

2Na+

Molecular Weight

628.59

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

1.446

Distribution Coefficient, logD

1.446

Water Solubility, LogSw

-2.35

Polar Surface Area

165.227

Acid Dissociation Constant (pKa)

28.96

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

8019-6254 in Drug Discovery

Included in Screening Libraries

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 8019-6254 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-6254?
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What is the minimum amount of 8019-6254 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-6254
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-6254
  • 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 8019-6254 available by request