8016-0860 Screening compound: 2-methoxy-4-(methylsulfanyl)-N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]benzamide

8016-0860 Screening compound: 2-methoxy-4-(methylsulfanyl)-N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]benzamide
8016-0860 Screening compound: 2-methoxy-4-(methylsulfanyl)-N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-0860
2-methoxy-4-(methylsulfanyl)-N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]benzamide

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

8016-0860

Molecular Formula

C25H24N2O6S2 (C25 H24 N2 O6 S2)

Compound Name

2-methoxy-4-(methylsulfanyl)-N~1~-[8-(morpholinosulfonyl)dibenzo[b,d]furan-3-yl]benzamide

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-[12-(morpholine-4-sulfonyl)-8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaen-5-yl]benzamide

SMILES

COc(cc(cc1)SC)c1C(Nc(cc1)cc2c1c(cc(cc1)S(N3CCOCC3)(=O)=O)c1o2)=O

InChI

InChI=1S/C25H24N2O6S2/c1-31-23-14-17(34-2)4-7-20(23)25(28)26-16-3-6-19-21-15-18(5-8-22(21)33-24(19)13-16)35(29,30)27-9-11-32-12-10-27/h3-8,13-15H,9-12H2,1-2H3,(H,26,28)

InChI Key

FXADAZRRHHPJOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260126

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

512.61

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.897

Distribution Coefficient, logD

4.896

Water Solubility, LogSw

-4.71

Polar Surface Area

78.494

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8016-0860 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8016-0860 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-0860?
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What is the minimum amount of 8016-0860 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-0860
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-0860
  • 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 8016-0860 available by request