5591-3049 Screening compound: N~2~-acetyl-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide

5591-3049 Screening compound: N~2~-acetyl-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide
5591-3049 Screening compound: N~2~-acetyl-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3049
N~2~-acetyl-N~2~-(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

5591-3049

Molecular Formula

C18H17NO4S2 (C18 H17 NO4 S2)

Compound Name

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

IUPAC name

N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-4-yl}-N-(thiophene-2-sulfonyl)acetamide

SMILES

CC(N(c(cc1)cc2c1oc1c2CCCC1)S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C18H17NO4S2/c1-12(20)19(25(21,22)18-7-4-10-24-18)13-8-9-17-15(11-13)14-5-2-3-6-16(14)23-17/h4,7-11H,2-3,5-6H2,1H3

InChI Key

QAKCFHDZPXRFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472087

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.486

Distribution Coefficient, logD

3.486

Water Solubility, LogSw

-3.85

Polar Surface Area

55.419

Acid Dissociation Constant (pKa)

21.15

Base Dissociation Constant (pKb)

-13.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

5591-3049 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 5591-3049 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3049?
Check Price and Availability of 5591-3049, 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 5591-3049 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3049
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3049
  • 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 5591-3049 available by request