C329-0518 Screening compound: 2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0518 Screening compound: 2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0518 Screening compound: 2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0518
2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-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

C329-0518

Molecular Formula

C26H34N4O3 (C26 H34 N4 O3)

Compound Name

2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

2-cyclohexyl-9-methyl-N-[3-(morpholin-4-yl)propyl]-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

Cn(c1c2cccc1)c1c2C(C(NCCCN2CCOCC2)=O)=CN(C2CCCCC2)C1=O

InChI

InChI=1S/C26H34N4O3/c1-28-22-11-6-5-10-20(22)23-21(25(31)27-12-7-13-29-14-16-33-17-15-29)18-30(26(32)24(23)28)19-8-3-2-4-9-19/h5-6,10-11,18-19H,2-4,7-9,12-17H2,1H3,(H,27,31)

InChI Key

WPWFNUCSOZUGNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.113

Distribution Coefficient, logD

1.725

Water Solubility, LogSw

-2.64

Polar Surface Area

53.656

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

7.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

53.80

C329-0518 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with C329-0518 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0518?
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What is the minimum amount of C329-0518 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0518
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0518
  • 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 C329-0518 available by request