C138-0816 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

C138-0816 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide
C138-0816 Screening compound: N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C138-0816
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

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

C138-0816

Molecular Formula

C27H34N4O2 (C27 H34 N4 O2)

Compound Name

N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

IUPAC name

N-[3-(35-dimethylpiperidin-1-yl)propyl]-1-[(2-methoxyphenyl)amino]isoquinoline-4-carboxamide

SMILES

CC1CN(CCCNC(c(c2ccccc22)cnc2Nc(cccc2)c2OC)=O)CC(C)C1

InChI

InChI=1S/C27H34N4O2/c1-19-15-20(2)18-31(17-19)14-8-13-28-27(32)23-16-29-26(22-10-5-4-9-21(22)23)30-24-11-6-7-12-25(24)33-3/h4-7,9-12,16,19-20H,8,13-15,17-18H2,1-3H3,(H,28,32)(H,29,30)

InChI Key

YFWSXVJQOHMMNY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14722130

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.59

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.022

Distribution Coefficient, logD

2.475

Water Solubility, LogSw

-4.58

Polar Surface Area

53.693

Acid Dissociation Constant (pKa)

15.68

Base Dissociation Constant (pKb)

9.95

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.70

C138-0816 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C138-0816 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C138-0816?
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What is the minimum amount of C138-0816 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C138-0816
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C138-0816
  • 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 C138-0816 available by request