C329-0572 Screening compound: 2-cyclohexyl-9-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide

C329-0572 Screening compound: 2-cyclohexyl-9-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide
C329-0572 Screening compound: 2-cyclohexyl-9-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-1H,2H,9H-pyrido[3,4-b]indole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C329-0572
2-cyclohexyl-9-methyl-1-oxo-N-[4-(propan-2-yl)phenyl]-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

C329-0572

Molecular Formula

C28H31N3O2 (C28 H31 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c(cc1)ccc1NC(C(c1c2n(C)c3c1cccc3)=CN(C1CCCCC1)C2=O)=O

InChI

InChI=1S/C28H31N3O2/c1-18(2)19-13-15-20(16-14-19)29-27(32)23-17-31(21-9-5-4-6-10-21)28(33)26-25(23)22-11-7-8-12-24(22)30(26)3/h7-8,11-18,21H,4-6,9-10H2,1-3H3,(H,29,32)

InChI Key

ZGAROYXHCWYOLZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14749102

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

441.57

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.687

Distribution Coefficient, logD

5.686

Water Solubility, LogSw

-5.74

Polar Surface Area

40.602

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.70

C329-0572 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Lipid Metabolism Library (9174 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with C329-0572 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C329-0572?
Check Price and Availability of C329-0572, 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 C329-0572 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C329-0572
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C329-0572
  • 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 C329-0572 available by request