1509-0052 Screening compound: 9-(hydroxyimino)-N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

1509-0052 Screening compound: 9-(hydroxyimino)-N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
1509-0052 Screening compound: 9-(hydroxyimino)-N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1509-0052
9-(hydroxyimino)-N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

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

1509-0052

Molecular Formula

C33H49N5O9S2 (C33 H49 N5 O9 S2)

Compound Name

9-(hydroxyimino)-N2,N2,N7,N7-tetrakis(3-methylbutyl)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

IUPAC name

9-(hydroxyimino)-N2N2N7N7-tetrakis(3-methylbutyl)-45-dinitro-9H-fluorene-27-disulfonamide

SMILES

CC(C)CCN(CCC(C)C)S(c1cc(C(c2cc(S(N(CCC(C)C)CCC(C)C)(=O)=O)cc([N+]([O-])=O)c2-2)=NO)c2c([N+]([O-])=O)c1)(=O)=O

InChI

InChI=1S/C33H49N5O9S2/c1-21(2)9-13-35(14-10-22(3)4)48(44,45)25-17-27-31(29(19-25)37(40)41)32-28(33(27)34-39)18-26(20-30(32)38(42)43)49(46,47)36(15-11-23(5)6)16-12-24(7)8/h17-24,39H,9-16H2,1-8H3

InChI Key

NXWNSNUKCYBKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00519193

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

723.91

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

8.263

Distribution Coefficient, logD

8.262

Water Solubility, LogSw

-6.10

Polar Surface Area

158.094

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.60

1509-0052 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 1509-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1509-0052?
Check Price and Availability of 1509-0052, 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 1509-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1509-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1509-0052
  • 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 1509-0052 available by request