5591-3609 Screening compound: N~2~-[8-(tert-pentyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-thiophenesulfonamide

5591-3609 Screening compound: N~2~-[8-(tert-pentyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-thiophenesulfonamide
5591-3609 Screening compound: N~2~-[8-(tert-pentyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3609
N~2~-[8-(tert-pentyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-thiophenesulfonamide

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

5591-3609

Molecular Formula

C21H25NO3S2 (C21 H25 NO3 S2)

Compound Name

N~2~-[8-(tert-pentyl)-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl]-2-thiophenesulfonamide

IUPAC name

N-[12-(2-methylbutan-2-yl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)35-tetraen-4-yl]thiophene-2-sulfonamide

SMILES

CCC(C)(C)C(CC1)Cc2c1oc(cc1)c2cc1NS(c1cccs1)(=O)=O

InChI

InChI=1S/C21H25NO3S2/c1-4-21(2,3)14-7-9-18-16(12-14)17-13-15(8-10-19(17)25-18)22-27(23,24)20-6-5-11-26-20/h5-6,8,10-11,13-14,22H,4,7,9,12H2,1-3H3/t14-/m1/s1

InChI Key

IUBFWYHEJLBMHC-CQSZACIVSA-N

MDL Number (MFCD)

MFCD03472601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.694

Distribution Coefficient, logD

5.684

Water Solubility, LogSw

-5.57

Polar Surface Area

50.022

Acid Dissociation Constant (pKa)

9.04

Base Dissociation Constant (pKb)

-10.40

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

5591-3609 in Drug Discovery

Included in Screening Libraries

Protein Arginine Methyltransferases Library (27925 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5591-3609 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3609?
Check Price and Availability of 5591-3609, 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 5591-3609 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3609
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3609
  • 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 5591-3609 available by request