1431-1914 Screening compound: N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide

1431-1914 Screening compound: N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide
1431-1914 Screening compound: N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 1431-1914
N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-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

1431-1914

Molecular Formula

C41H32N4O9S2 (C41 H32 N4 O9 S2)

Compound Name

N2,N2,N7,N7-tetrabenzyl-4,5-dinitro-9-oxo-9H-fluorene-2,7-disulfonamide

IUPAC name

N2N2N7N7-tetrabenzyl-45-dinitro-9-oxo-9H-fluorene-27-disulfonamide

SMILES

[O-][N+](c1cc(S(N(Cc2ccccc2)Cc2ccccc2)(=O)=O)cc(C(c2cc(S(N(Cc3ccccc3)Cc3ccccc3)(=O)=O)c3)=O)c1-c2c3[N+]([O-])=O)=O

InChI

InChI=1S/C41H32N4O9S2/c46-41-35-21-33(55(51,52)42(25-29-13-5-1-6-14-29)26-30-15-7-2-8-16-30)23-37(44(47)48)39(35)40-36(41)22-34(24-38(40)45(49)50)56(53,54)43(27-31-17-9-3-10-18-31)28-32-19-11-4-12-20-32/h1-24H,25-28H2

InChI Key

ATCIRBHVTQMFEM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00618929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

788.86

Hydrogen Bond Acceptors Count

20.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

13

Partition Coefficient, logP

7.815

Distribution Coefficient, logD

7.815

Water Solubility, LogSw

-6.19

Polar Surface Area

141.769

Acid Dissociation Constant (pKa)

25.20

Base Dissociation Constant (pKb)

-7.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.80

1431-1914 in Drug Discovery

Included in Screening Libraries

Frequent Hitters Library (7624 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 1431-1914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1431-1914?
Check Price and Availability of 1431-1914, 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 1431-1914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1431-1914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1431-1914
  • 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 1431-1914 available by request