7742-0249 Screening compound: 10-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

7742-0249 Screening compound: 10-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione
7742-0249 Screening compound: 10-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 7742-0249
10-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

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

7742-0249

Molecular Formula

C17H19N5O3 (C17 H19 N5 O3)

Compound Name

10-(4-methoxyphenyl)-1-methyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

IUPAC name

10-(4-methoxyphenyl)-1-methyl-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purine-24-dione

SMILES

CN(c1c(C(N2)=O)n(CCCCN3c(cc4)ccc4OC)c3n1)C2=O

InChI

InChI=1S/C17H19N5O3/c1-20-14-13(15(23)19-17(20)24)22-10-4-3-9-21(16(22)18-14)11-5-7-12(25-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,19,23,24)

InChI Key

ZTNIYCDRVPTXFP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00653081

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.469

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-2.95

Polar Surface Area

61.609

Acid Dissociation Constant (pKa)

10.82

Base Dissociation Constant (pKb)

2.76

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.30

7742-0249 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Dark Chemical Matter Library (18430 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Recognition Elements PPI Library (24135 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • Pool
  • Mimetics
Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with 7742-0249 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7742-0249?
Check Price and Availability of 7742-0249, 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 7742-0249 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7742-0249
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7742-0249
  • 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 7742-0249 available by request