8006-8123 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-2-methoxy-4-(methylsulfanyl)benzamide

8006-8123 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-2-methoxy-4-(methylsulfanyl)benzamide
8006-8123 Screening compound: N~1~-dibenzo[b,d]furan-3-yl-2-methoxy-4-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-8123
N~1~-dibenzo[b,d]furan-3-yl-2-methoxy-4-(methylsulfanyl)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

8006-8123

Molecular Formula

C21H17NO3S (C21 H17 NO3 S)

Compound Name

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

IUPAC name

2-methoxy-4-(methylsulfanyl)-N-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(13)246911-hexaen-5-yl}benzamide

SMILES

COc(cc(cc1)SC)c1C(Nc(cc1)cc2c1c(cccc1)c1o2)=O

InChI

InChI=1S/C21H17NO3S/c1-24-19-12-14(26-2)8-10-17(19)21(23)22-13-7-9-16-15-5-3-4-6-18(15)25-20(16)11-13/h3-12H,1-2H3,(H,22,23)

InChI Key

HVYDIHARYMGWLE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00754749

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.767

Distribution Coefficient, logD

5.767

Water Solubility, LogSw

-5.83

Polar Surface Area

38.875

Acid Dissociation Constant (pKa)

10.22

Base Dissociation Constant (pKb)

-1.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8006-8123 in Drug Discovery

Included in Screening Libraries

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8006-8123 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-8123?
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What is the minimum amount of 8006-8123 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-8123
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-8123
  • 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 8006-8123 available by request