C237-0777 Screening compound: N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C237-0777 Screening compound: N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C237-0777 Screening compound: N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C237-0777
N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-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

C237-0777

Molecular Formula

C25H27N3O3 (C25 H27 N3 O3)

Compound Name

N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-(4-ethoxyphenyl)-9-methyl-2-(2-methylpropyl)-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CCOc(cc1)ccc1NC(C(c1c2n(C)c3c1cccc3)=CN(CC(C)C)C2=O)=O

InChI

InChI=1S/C25H27N3O3/c1-5-31-18-12-10-17(11-13-18)26-24(29)20-15-28(14-16(2)3)25(30)23-22(20)19-8-6-7-9-21(19)27(23)4/h6-13,15-16H,5,14H2,1-4H3,(H,26,29)

InChI Key

ANAQDWHDADHKLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03829510

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.51

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.173

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.20

Polar Surface Area

48.610

Acid Dissociation Constant (pKa)

10.30

Base Dissociation Constant (pKb)

2.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.00

C237-0777 in Drug Discovery

Included in Screening Libraries

CNS Targets (44014 compounds)

Cardiovascular Library (22201 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C237-0777 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C237-0777?
Check Price and Availability of C237-0777, 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 C237-0777 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C237-0777
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C237-0777
  • 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 C237-0777 available by request