8255-0988 Screening compound: 10-(4-ethoxyphenyl)-1-methyl-3-propyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione

8255-0988 Screening compound: 10-(4-ethoxyphenyl)-1-methyl-3-propyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-[1,3]diazepino[1,2-g]purine-2,4-dione
8255-0988 Screening compound: 10-(4-ethoxyphenyl)-1-methyl-3-propyl-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 8255-0988
10-(4-ethoxyphenyl)-1-methyl-3-propyl-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

8255-0988

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

10-(4-ethoxyphenyl)-1-methyl-3-propyl-1H2H3H4H6H7H8H9H10H-[13]diazepino[12-g]purine-24-dione

SMILES

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

InChI

InChI=1S/C21H27N5O3/c1-4-12-26-19(27)17-18(23(3)21(26)28)22-20-24(13-6-7-14-25(17)20)15-8-10-16(11-9-15)29-5-2/h8-11H,4-7,12-14H2,1-3H3

InChI Key

VPPFYWZSNZDIOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07197053

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.835

Distribution Coefficient, logD

3.835

Water Solubility, LogSw

-3.77

Polar Surface Area

52.487

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

47.60

8255-0988 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with 8255-0988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-0988?
Check Price and Availability of 8255-0988, 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 8255-0988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-0988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-0988
  • 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 8255-0988 available by request