C275-0089 Screening compound: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

C275-0089 Screening compound: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one
C275-0089 Screening compound: 4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C275-0089
4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-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

C275-0089

Molecular Formula

C26H29N3O2 (C26 H29 N3 O2)

Compound Name

4-(3,5-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-one

IUPAC name

4-(35-dimethylpiperidine-1-carbonyl)-3-(1H-indol-3-yl)-2-methyl-1234-tetrahydroisoquinolin-1-one

SMILES

CC(CC(C)C1)CN1C(C(C(c1c[nH]c2c1cccc2)N1C)c(cccc2)c2C1=O)=O

InChI

InChI=1S/C26H29N3O2/c1-16-12-17(2)15-29(14-16)26(31)23-19-9-4-5-10-20(19)25(30)28(3)24(23)21-13-27-22-11-7-6-8-18(21)22/h4-11,13,16-17,23-24,27H,12,14-15H2,1-3H3

InChI Key

RIWFNDWJYRDXTG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05032238

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

415.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.992

Distribution Coefficient, logD

3.991

Water Solubility, LogSw

-4.20

Polar Surface Area

42.074

Acid Dissociation Constant (pKa)

12.58

Base Dissociation Constant (pKb)

-0.48

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

38.50

C275-0089 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

GPCR Targeted Library (31838 compounds)

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
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators

References: we are preparing a list of scientific research reports with C275-0089 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C275-0089?
Check Price and Availability of C275-0089, 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 C275-0089 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C275-0089
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C275-0089
  • 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 C275-0089 available by request