C429-1139 Screening compound: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide

C429-1139 Screening compound: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide
C429-1139 Screening compound: N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-1139
N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-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

C429-1139

Molecular Formula

C41H35N5O2 (C41 H35 N5 O2)

Compound Name

N,N,7-tribenzyl-9-(3,4-dimethylphenyl)-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

NN7-tribenzyl-9-(34-dimethylphenyl)-8-oxo-2-phenyl-89-dihydro-7H-purine-6-carboxamide

SMILES

Cc(cc1)c(C)cc1N(c(nc(-c1ccccc1)nc1C(N(Cc2ccccc2)Cc2ccccc2)=O)c1N1Cc2ccccc2)C1=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

629.76

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

9.524

Distribution Coefficient, logD

9.524

Water Solubility, LogSw

-5.62

Polar Surface Area

54.687

Acid Dissociation Constant (pKa)

25.95

Base Dissociation Constant (pKb)

-1.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.20

C429-1139 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Glucocorticoid receptors Library (4806 compounds)

MCL1 Targeted Library (12200 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Nuclear receptors
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C429-1139 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-1139?
Check Price and Availability of C429-1139, 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 C429-1139 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-1139
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-1139
  • 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 C429-1139 available by request