1869-0196 Screening compound: N2,N7-bis(decyl)-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

1869-0196 Screening compound: N2,N7-bis(decyl)-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide
1869-0196 Screening compound: N2,N7-bis(decyl)-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1869-0196
N2,N7-bis(decyl)-9-(hydroxyimino)-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

1869-0196

Molecular Formula

C33H49N5O9S2 (C33 H49 N5 O9 S2)

Compound Name

N2,N7-bis(decyl)-9-(hydroxyimino)-4,5-dinitro-9H-fluorene-2,7-disulfonamide

IUPAC name

N2N7-bis(decyl)-9-(hydroxyimino)-45-dinitro-9H-fluorene-27-disulfonamide

SMILES

CCCCCCCCCCNS(c1cc(C(c2cc(S(NCCCCCCCCCC)(=O)=O)cc([N+]([O-])=O)c2-2)=NO)c2c([N+]([O-])=O)c1)(=O)=O

InChI

InChI=1S/C33H49N5O9S2/c1-3-5-7-9-11-13-15-17-19-34-48(44,45)25-21-27-31(29(23-25)37(40)41)32-28(33(27)36-39)22-26(24-30(32)38(42)43)49(46,47)35-20-18-16-14-12-10-8-6-4-2/h21-24,34-35,39H,3-20H2,1-2H3

InChI Key

MDPVCWFODXKZHN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00724272

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

723.91

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

24.00

Number of Nitrogen and Oxygen Atoms

14

Partition Coefficient, logP

10.055

Distribution Coefficient, logD

10.055

Water Solubility, LogSw

-6.20

Polar Surface Area

178.629

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-5.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.60

1869-0196 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Regenerative Medicine Focused Library (23016 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with 1869-0196 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1869-0196?
Check Price and Availability of 1869-0196, 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 1869-0196 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1869-0196
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1869-0196
  • 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 1869-0196 available by request