0083-0101 Screening compound: 4,5-dihydroxy-3-[(1E)-2-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate

0083-0101 Screening compound: 4,5-dihydroxy-3-[(1E)-2-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate
0083-0101 Screening compound: 4,5-dihydroxy-3-[(1E)-2-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0083-0101
4,5-dihydroxy-3-[(1E)-2-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate

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

0083-0101

Molecular Formula

C20H10N2O15S4 (C20 H10 N2 O15 S4)

Compound Name

4,5-dihydroxy-3-[(1E)-2-(8-hydroxy-3,6-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-2,7-disulfonate

IUPAC name

45-dihydroxy-3-[(1E)-2-(8-hydroxy-36-disulfonatonaphthalen-1-yl)diazen-1-yl]naphthalene-27-disulfonate

SMILES

[O-]S(c1cc2cc(S([O-])(=O)=O)cc(O)c2c(/N=N/c(c(S([O-])(=O)=O)cc2cc(S([O-])(=O)=O)cc(O)c22)c2O)c1)(=O)=O

InChI

InChI=1S/C20H14N2O15S4/c23-14-6-11(39(29,30)31)2-8-1-10(38(26,27)28)5-13(17(8)14)21-22-19-16(41(35,36)37)4-9-3-12(40(32,33)34)7-15(24)18(9)20(19)25/h1-7,23-25H,(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)/p-4

InChI Key

HUCRMWBRQRSUCH-UHFFFAOYSA-J

MDL Number (MFCD)

MFCD00982075

Chemical and Physical Properties

Saltdata

4Na+

Molecular Weight

646.57

Hydrogen Bond Acceptors Count

25.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

17

Partition Coefficient, logP

-7.076

Distribution Coefficient, logD

-8.144

Water Solubility, LogSw

-1.77

Polar Surface Area

237.520

Acid Dissociation Constant (pKa)

6.37

Base Dissociation Constant (pKb)

-4.86

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0083-0101 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • Pool
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 0083-0101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0083-0101?
Check Price and Availability of 0083-0101, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 0083-0101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0083-0101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0083-0101
  • 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 0083-0101 available by request