C429-1138 Screening compound: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide

C429-1138 Screening compound: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide
C429-1138 Screening compound: 9-(3,4-dimethylphenyl)-N,N,7-triethyl-8-oxo-2-phenyl-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-1138
9-(3,4-dimethylphenyl)-N,N,7-triethyl-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

C429-1138

Molecular Formula

C26H29N5O2 (C26 H29 N5 O2)

Compound Name

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

IUPAC name

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

SMILES

CCN(CC)C(c1nc(-c2ccccc2)nc(N2c3cc(C)c(C)cc3)c1N(CC)C2=O)=O

InChI

InChI=1S/C26H29N5O2/c1-6-29(7-2)25(32)21-22-24(28-23(27-21)19-12-10-9-11-13-19)31(26(33)30(22)8-3)20-15-14-17(4)18(5)16-20/h9-16H,6-8H2,1-5H3

InChI Key

LNXOSPBVMNMVRQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756316

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.899

Distribution Coefficient, logD

5.899

Water Solubility, LogSw

-5.44

Polar Surface Area

54.676

Acid Dissociation Constant (pKa)

27.47

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.80

C429-1138 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Glucocorticoid receptors Library (4806 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
  • Endocrine
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C429-1138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-1138?
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What is the minimum amount of C429-1138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-1138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-1138
  • 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 C429-1138 available by request