5591-3635 Screening compound: 4-chloro-N~1~-(4-pyridylcarbonyl)-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

5591-3635 Screening compound: 4-chloro-N~1~-(4-pyridylcarbonyl)-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide
5591-3635 Screening compound: 4-chloro-N~1~-(4-pyridylcarbonyl)-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5591-3635
4-chloro-N~1~-(4-pyridylcarbonyl)-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-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

5591-3635

Molecular Formula

C24H19ClN2O4S (C24 H19 ClN2 O4 S)

Compound Name

4-chloro-N~1~-(4-pyridylcarbonyl)-N~1~-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)-1-benzenesulfonamide

IUPAC name

N-(4-chlorobenzenesulfonyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)246-tetraen-4-yl}pyridine-4-carboxamide

SMILES

O=C(c1ccncc1)N(c(cc1)cc2c1oc1c2CCCC1)S(c(cc1)ccc1Cl)(=O)=O

InChI

InChI=1S/C24H19ClN2O4S/c25-17-5-8-19(9-6-17)32(29,30)27(24(28)16-11-13-26-14-12-16)18-7-10-23-21(15-18)20-3-1-2-4-22(20)31-23/h5-15H,1-4H2

InChI Key

KEUQQHQJHZOIIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03472621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

466.94

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.693

Distribution Coefficient, logD

4.693

Water Solubility, LogSw

-4.95

Polar Surface Area

63.090

Acid Dissociation Constant (pKa)

25.48

Base Dissociation Constant (pKb)

2.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

References: we are preparing a list of scientific research reports with 5591-3635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5591-3635?
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What is the minimum amount of 5591-3635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5591-3635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5591-3635
  • 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 5591-3635 available by request