C429-1053 Screening compound: 9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

C429-1053 Screening compound: 9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
C429-1053 Screening compound: 9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C429-1053
9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-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

C429-1053

Molecular Formula

C21H19N5O4 (C21 H19 N5 O4)

Compound Name

9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-8,9-dihydro-7H-purine-6-carboxamide

IUPAC name

9-(3-methoxyphenyl)-2-(4-methoxyphenyl)-7-methyl-8-oxo-89-dihydro-7H-purine-6-carboxamide

SMILES

CN(c1c(N2c3cc(OC)ccc3)nc(-c(cc3)ccc3OC)nc1C(N)=O)C2=O

InChI

InChI=1S/C21H19N5O4/c1-25-17-16(18(22)27)23-19(12-7-9-14(29-2)10-8-12)24-20(17)26(21(25)28)13-5-4-6-15(11-13)30-3/h4-11H,1-3H3,(H2,22,27)

InChI Key

GPNKJTDEFCSJAO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14756286

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.465

Distribution Coefficient, logD

3.465

Water Solubility, LogSw

-3.86

Polar Surface Area

87.931

Acid Dissociation Constant (pKa)

13.04

Base Dissociation Constant (pKb)

-1.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C429-1053 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C429-1053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C429-1053?
Check Price and Availability of C429-1053, 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 C429-1053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C429-1053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C429-1053
  • 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 C429-1053 available by request