6145-0944 Screening compound: N~1~-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-naphthalenesulfonamide

6145-0944 Screening compound: N~1~-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-naphthalenesulfonamide
6145-0944 Screening compound: N~1~-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-naphthalenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6145-0944
N~1~-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-naphthalenesulfonamide

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

6145-0944

Molecular Formula

C22H16BrNO4S (C22 H16 BrNO4 S)

Compound Name

N~1~-(4-bromo-9-oxo-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-naphthalenesulfonamide

IUPAC name

N-{6-bromo-13-oxo-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl}naphthalene-1-sulfonamide

SMILES

O=C(CCC1)c(c2cc(NS(c3cccc4ccccc34)(=O)=O)c3)c1oc2c3Br

InChI

InChI=1S/C22H16BrNO4S/c23-17-12-14(11-16-21-18(25)8-4-9-19(21)28-22(16)17)24-29(26,27)20-10-3-6-13-5-1-2-7-15(13)20/h1-3,5-7,10-12,24H,4,8-9H2

InChI Key

DRRCDYUHYGPSFL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04212346

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.34

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.608

Distribution Coefficient, logD

3.191

Water Solubility, LogSw

-5.11

Polar Surface Area

62.213

Acid Dissociation Constant (pKa)

6.00

Base Dissociation Constant (pKb)

-11.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

6145-0944 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6145-0944 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6145-0944?
Check Price and Availability of 6145-0944, 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 6145-0944 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6145-0944
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6145-0944
  • 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 6145-0944 available by request