C329-0574 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0574 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0574 Screening compound: N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0574
N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-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

C329-0574

Molecular Formula

C31H38N4O2 (C31 H38 N4 O2)

Compound Name

N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-1-oxo-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

IUPAC name

N-{3-[benzyl(ethyl)amino]propyl}-2-cyclohexyl-9-methyl-1-oxo-1H2H9H-pyrido[34-b]indole-4-carboxamide

SMILES

CCN(CCCNC(C(c1c2n(C)c3c1cccc3)=CN(C1CCCCC1)C2=O)=O)Cc1ccccc1

InChI

InChI=1S/C31H38N4O2/c1-3-34(21-23-13-6-4-7-14-23)20-12-19-32-30(36)26-22-35(24-15-8-5-9-16-24)31(37)29-28(26)25-17-10-11-18-27(25)33(29)2/h4,6-7,10-11,13-14,17-18,22,24H,3,5,8-9,12,15-16,19-21H2,1-2H3,(H,32,36)

InChI Key

SXNVDBUCKLPZIX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.67

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.266

Distribution Coefficient, logD

2.675

Water Solubility, LogSw

-4.05

Polar Surface Area

45.452

Acid Dissociation Constant (pKa)

13.63

Base Dissociation Constant (pKb)

8.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

C329-0574 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with C329-0574 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0574?
Check Price and Availability of C329-0574, 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 C329-0574 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0574
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0574
  • 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 C329-0574 available by request