S008-0115 Screening compound: N~1~-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide

S008-0115 Screening compound: N~1~-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide
S008-0115 Screening compound: N~1~-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0115
N~1~-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide

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

S008-0115

Molecular Formula

C22H28N2O (C22 H28 N2 O)

Compound Name

N~1~-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-2-propylpentanamide

IUPAC name

N-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}-2-propylpentanamide

SMILES

CCCC(CCC)C(Nc1cc(Nc2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C22H28N2O/c1-3-7-18(8-4-2)22(25)23-19-14-13-17-12-11-16-9-5-6-10-20(16)24-21(17)15-19/h5-6,9-10,13-15,18,24H,3-4,7-8,11-12H2,1-2H3,(H,23,25)

InChI Key

MRXAFSNZMPMADA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00811736

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.730

Distribution Coefficient, logD

6.730

Water Solubility, LogSw

-5.59

Polar Surface Area

35.016

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-0.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

S008-0115 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S008-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0115?
Check Price and Availability of S008-0115, 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 S008-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0115
  • 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 S008-0115 available by request