8015-0836 Screening compound: 4-methyl-N-[3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]benzamide

8015-0836 Screening compound: 4-methyl-N-[3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]benzamide
8015-0836 Screening compound: 4-methyl-N-[3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8015-0836
4-methyl-N-[3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]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

8015-0836

Molecular Formula

C24H30N2O3S (C24 H30 N2 O3 S)

Compound Name

4-methyl-N-[3-({1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]benzamide

IUPAC name

4-methyl-N-[3-({133-trimethyl-6-azabicyclo[3.2.1]octan-6-yl}sulfonyl)phenyl]benzamide

SMILES

CC(C1)(C2)CC(C)(C)CC1N2S(c1cc(NC(c2ccc(C)cc2)=O)ccc1)(=O)=O

InChI

InChI=1S/C24H30N2O3S/c1-17-8-10-18(11-9-17)22(27)25-19-6-5-7-21(12-19)30(28,29)26-16-24(4)14-20(26)13-23(2,3)15-24/h5-12,20H,13-16H2,1-4H3,(H,25,27)

InChI Key

JTHVOPJIVUSOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03855337

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.58

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.787

Distribution Coefficient, logD

4.781

Water Solubility, LogSw

-4.59

Polar Surface Area

55.503

Acid Dissociation Constant (pKa)

9.26

Base Dissociation Constant (pKb)

-2.78

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

45.80

8015-0836 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • GPCR
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 8015-0836 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8015-0836?
Check Price and Availability of 8015-0836, 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 8015-0836 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8015-0836
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8015-0836
  • 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 8015-0836 available by request