5624-1098 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-1-cyclohexanecarboxamide

5624-1098 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-1-cyclohexanecarboxamide
5624-1098 Screening compound: N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-1-cyclohexanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 5624-1098
N~1~-(2-methoxydibenzo[b,d]furan-3-yl)-1-cyclohexanecarboxamide

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

5624-1098

Molecular Formula

C20H21NO3 (C20 H21 NO3)

Compound Name

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

IUPAC name

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

SMILES

COc(cc(c(cccc1)c1o1)c1c1)c1NC(C1CCCCC1)=O

InChI

InChI=1S/C20H21NO3/c1-23-19-11-15-14-9-5-6-10-17(14)24-18(15)12-16(19)21-20(22)13-7-3-2-4-8-13/h5-6,9-13H,2-4,7-8H2,1H3,(H,21,22)

InChI Key

HJRPMILZYXSXBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00249092

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.110

Distribution Coefficient, logD

5.110

Water Solubility, LogSw

-5.27

Polar Surface Area

38.369

Acid Dissociation Constant (pKa)

10.80

Base Dissociation Constant (pKb)

1.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

5624-1098 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 5624-1098 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5624-1098?
Check Price and Availability of 5624-1098, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 5624-1098 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5624-1098
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5624-1098
  • 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 5624-1098 available by request