5591-2066 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-thiophenesulfonamide

5591-2066 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-thiophenesulfonamide
5591-2066 Screening compound: N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-2066
N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-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

5591-2066

Molecular Formula

C20H17NO3S2 (C20 H17 NO3 S2)

Compound Name

N~2~-(7,8,9,10-tetrahydronaphtho[1,2-b][1]benzofuran-5-yl)-2-thiophenesulfonamide

IUPAC name

N-{17-oxatetracyclo[8.7.0.0^{27}.0^{1116}]heptadeca-1(10)2(7)35811(16)-hexaen-8-yl}thiophene-2-sulfonamide

SMILES

O=S(c1cccs1)(Nc(c1ccccc11)cc2c1oc1c2CCCC1)=O

InChI

InChI=1S/C20H17NO3S2/c22-26(23,19-10-5-11-25-19)21-17-12-16-14-7-3-4-9-18(14)24-20(16)15-8-2-1-6-13(15)17/h1-2,5-6,8,10-12,21H,3-4,7,9H2

InChI Key

QIPCCYABVFBQJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03471199

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.49

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

4.993

Distribution Coefficient, logD

4.991

Water Solubility, LogSw

-5.12

Polar Surface Area

49.286

Acid Dissociation Constant (pKa)

9.67

Base Dissociation Constant (pKb)

-7.70

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

5591-2066 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5591-2066 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-2066?
Check Price and Availability of 5591-2066, 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 5591-2066 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-2066
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-2066
  • 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 5591-2066 available by request