7742-0246 Screening compound: butyl 2-[10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate

7742-0246 Screening compound: butyl 2-[10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate
7742-0246 Screening compound: butyl 2-[10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 7742-0246
butyl 2-[10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate

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

7742-0246

Molecular Formula

C24H31N5O5 (C24 H31 N5 O5)

Compound Name

butyl 2-[10-(4-ethoxyphenyl)-1-methyl-2,4-dioxo-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purin-3-yl]acetate

IUPAC name

butyl 2-[10-(4-ethoxyphenyl)-1-methyl-24-dioxo-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purin-3-yl]acetate

SMILES

CCCCOC(CN(C(c(n1CCCC2)c(N3C)nc1N2c(cc1)ccc1OCC)=O)C3=O)=O

InChI

InChI=1S/C24H31N5O5/c1-4-6-15-34-19(30)16-29-22(31)20-21(26(3)24(29)32)25-23-27(13-7-8-14-28(20)23)17-9-11-18(12-10-17)33-5-2/h9-12H,4-8,13-16H2,1-3H3

InChI Key

JZTXEUMLCCLLGR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07197059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.54

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.897

Distribution Coefficient, logD

3.897

Water Solubility, LogSw

-3.73

Polar Surface Area

72.962

Acid Dissociation Constant (pKa)

22.36

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

7742-0246 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 7742-0246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7742-0246?
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What is the minimum amount of 7742-0246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7742-0246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7742-0246
  • 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 7742-0246 available by request