5591-3046 Screening compound: N~2~-(4-methylbenzoyl)-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide

5591-3046 Screening compound: N~2~-(4-methylbenzoyl)-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide
5591-3046 Screening compound: N~2~-(4-methylbenzoyl)-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3046
N~2~-(4-methylbenzoyl)-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

5591-3046

Molecular Formula

C24H21NO4S2 (C24 H21 NO4 S2)

Compound Name

N~2~-(4-methylbenzoyl)-N~2~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-2-thiophenesulfonamide

IUPAC name

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

SMILES

Cc(cc1)ccc1C(N(c(cc1)cc2c1oc1c2CCCC1)S(c1cccs1)(=O)=O)=O

InChI

InChI=1S/C24H21NO4S2/c1-16-8-10-17(11-9-16)24(26)25(31(27,28)23-7-4-14-30-23)18-12-13-22-20(15-18)19-5-2-3-6-21(19)29-22/h4,7-15H,2-3,5-6H2,1H3

InChI Key

OUTVACLNWCPQPW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472084

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.433

Distribution Coefficient, logD

5.433

Water Solubility, LogSw

-5.44

Polar Surface Area

54.680

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

-16.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.80

References: we are preparing a list of scientific research reports with 5591-3046 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3046?
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What is the minimum amount of 5591-3046 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3046
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3046
  • 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 5591-3046 available by request