C096-1148 Screening compound: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C096-1148 Screening compound: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C096-1148 Screening compound: 4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C096-1148
4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

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

C096-1148

Molecular Formula

C24H28N2O3 (C24 H28 N2 O3)

Compound Name

4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

4-(azepane-1-carbonyl)-3-(4-methoxyphenyl)-2-methyl-1234-tetrahydroisoquinolin-1-one

SMILES

CN(C(C(C(N1CCCCCC1)=O)c1c2cccc1)c(cc1)ccc1OC)C2=O

InChI

InChI=1S/C24H28N2O3/c1-25-22(17-11-13-18(29-2)14-12-17)21(19-9-5-6-10-20(19)23(25)27)24(28)26-15-7-3-4-8-16-26/h5-6,9-14,21-22H,3-4,7-8,15-16H2,1-2H3

InChI Key

LMSQIADOFBNFOS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14719557

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

392.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.63

Polar Surface Area

40.212

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

0.48

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

C096-1148 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C096-1148 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C096-1148?
Check Price and Availability of C096-1148, 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 C096-1148 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C096-1148
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C096-1148
  • 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 C096-1148 available by request