5591-3324 Screening compound: 4-fluoro-N~1~-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

5591-3324 Screening compound: 4-fluoro-N~1~-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide
5591-3324 Screening compound: 4-fluoro-N~1~-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3324
4-fluoro-N~1~-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

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

5591-3324

Molecular Formula

C23H20FNO3S (C23 H20 FNO3 S)

Compound Name

4-fluoro-N~1~-(8-methyl-7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-1-benzenesulfonamide

IUPAC name

4-fluoro-N-{13-methyl-17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1357911(16)-hexaen-8-yl}benzene-1-sulfonamide

SMILES

CC(CC1)Cc2c1oc(c1ccccc11)c2cc1NS(c(cc1)ccc1F)(=O)=O

InChI

InChI=1S/C23H20FNO3S/c1-14-6-11-22-19(12-14)20-13-21(17-4-2-3-5-18(17)23(20)28-22)25-29(26,27)16-9-7-15(24)8-10-16/h2-5,7-10,13-14,25H,6,11-12H2,1H3/t14-/m1/s1

InChI Key

KAURCOYOBCMAII-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03472326

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.800

Distribution Coefficient, logD

5.763

Water Solubility, LogSw

-5.89

Polar Surface Area

48.267

Acid Dissociation Constant (pKa)

8.45

Base Dissociation Constant (pKb)

-8.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.70

5591-3324 in Drug Discovery

Included in Screening Libraries

BRD4 Targeted Library (4534 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with 5591-3324 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3324?
Check Price and Availability of 5591-3324, 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 5591-3324 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3324
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3324
  • 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 5591-3324 available by request