8255-0987 Screening compound: 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]acetamide

8255-0987 Screening compound: 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]acetamide
8255-0987 Screening compound: 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]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8255-0987
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]acetamide

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

8255-0987

Molecular Formula

C20H24N6O4 (C20 H24 N6 O4)

Compound Name

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]acetamide

IUPAC name

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

SMILES

CCOc(cc1)ccc1N1c2nc(N(C)C(N(CC(N)=O)C3=O)=O)c3n2CCCC1

InChI

InChI=1S/C20H24N6O4/c1-3-30-14-8-6-13(7-9-14)24-10-4-5-11-25-16-17(22-19(24)25)23(2)20(29)26(18(16)28)12-15(21)27/h6-9H,3-5,10-12H2,1-2H3,(H2,21,27)

InChI Key

DHIQMNKOEOTAJG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07197052

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.643

Distribution Coefficient, logD

1.643

Water Solubility, LogSw

-2.18

Polar Surface Area

85.897

Acid Dissociation Constant (pKa)

15.97

Base Dissociation Constant (pKb)

3.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.00

8255-0987 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Allosteric Kinases Inhibitors Library (23117 compounds)

Anti-infective Library (19449 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Infections
  • Immune system
  • animal
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8255-0987 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8255-0987?
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What is the minimum amount of 8255-0987 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8255-0987
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8255-0987
  • 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 8255-0987 available by request