8012-0947 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-2-(methylsulfanyl)benzamide

8012-0947 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-2-(methylsulfanyl)benzamide
8012-0947 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-2-(methylsulfanyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0947
N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-2-(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

8012-0947

Molecular Formula

C21H17NO3S (C21 H17 NO3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(c(cccc1)c1SC)=O

InChI

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

InChI Key

AIYMMHNQUAXUBJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02933878

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

5.190

Distribution Coefficient, logD

5.187

Water Solubility, LogSw

-5.29

Polar Surface Area

38.177

Acid Dissociation Constant (pKa)

9.64

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.52

References: we are preparing a list of scientific research reports with 8012-0947 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0947?
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What is the minimum amount of 8012-0947 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0947
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0947
  • 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 8012-0947 available by request