8016-9056 Screening compound: methyl 3-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]-4-piperidinobenzoate

8016-9056 Screening compound: methyl 3-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]-4-piperidinobenzoate
8016-9056 Screening compound: methyl 3-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]-4-piperidinobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-9056
methyl 3-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]-4-piperidinobenzoate

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

8016-9056

Molecular Formula

C25H24N2O5S (C25 H24 N2 O5 S)

Compound Name

methyl 3-[(dibenzo[b,d]furan-2-ylsulfonyl)amino]-4-piperidinobenzoate

IUPAC name

methyl 3-{8-oxatricyclo[7.4.0.0^{27}]trideca-1(9)2(7)351012-hexaene-4-sulfonamido}-4-(piperidin-1-yl)benzoate

SMILES

COC(c(cc1)cc(NS(c(cc2)cc3c2oc2c3cccc2)(=O)=O)c1N1CCCCC1)=O

InChI

InChI=1S/C25H24N2O5S/c1-31-25(28)17-9-11-22(27-13-5-2-6-14-27)21(15-17)26-33(29,30)18-10-12-24-20(16-18)19-7-3-4-8-23(19)32-24/h3-4,7-12,15-16,26H,2,5-6,13-14H2,1H3

InChI Key

HGZIRROKZYWAJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05860177

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.029

Distribution Coefficient, logD

3.758

Water Solubility, LogSw

-5.65

Polar Surface Area

72.430

Acid Dissociation Constant (pKa)

5.13

Base Dissociation Constant (pKb)

1.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8016-9056 in Drug Discovery

Included in Screening Libraries

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

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Lipid Metabolism Library (9174 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Cardiovascular
  • Metabolic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8016-9056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-9056?
Check Price and Availability of 8016-9056, 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 8016-9056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-9056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-9056
  • 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 8016-9056 available by request