8016-2937 Screening compound: 7-nitro-N~2~-[4-(octyloxy)phenyl]dibenzo[b,d]furan-2-sulfonamide

8016-2937 Screening compound: 7-nitro-N~2~-[4-(octyloxy)phenyl]dibenzo[b,d]furan-2-sulfonamide
8016-2937 Screening compound: 7-nitro-N~2~-[4-(octyloxy)phenyl]dibenzo[b,d]furan-2-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2937
7-nitro-N~2~-[4-(octyloxy)phenyl]dibenzo[b,d]furan-2-sulfonamide

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

8016-2937

Molecular Formula

C26H28N2O6S (C26 H28 N2 O6 S)

Compound Name

7-nitro-N~2~-[4-(octyloxy)phenyl]dibenzo[b,d]furan-2-sulfonamide

IUPAC name

11-nitro-N-[4-(octyloxy)phenyl]-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-4-sulfonamide

SMILES

CCCCCCCCOc(cc1)ccc1NS(c(cc1)cc2c1oc1c2ccc([N+]([O-])=O)c1)(=O)=O

InChI

InChI=1S/C26H28N2O6S/c1-2-3-4-5-6-7-16-33-21-11-8-19(9-12-21)27-35(31,32)22-13-15-25-24(18-22)23-14-10-20(28(29)30)17-26(23)34-25/h8-15,17-18,27H,2-7,16H2,1H3

InChI Key

YUDJPMKZYHKEGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05855294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.58

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

8.330

Distribution Coefficient, logD

8.271

Water Solubility, LogSw

-5.83

Polar Surface Area

89.602

Acid Dissociation Constant (pKa)

8.23

Base Dissociation Constant (pKb)

-8.78

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.77

8016-2937 in Drug Discovery

Included in Screening Libraries

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:
  • 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 8016-2937 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2937?
Check Price and Availability of 8016-2937, 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 8016-2937 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2937
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2937
  • 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 8016-2937 available by request