J022-0869 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine

J022-0869 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine
J022-0869 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound J022-0869
N-(2H-1,3-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine

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

J022-0869

Molecular Formula

C21H18BrN5O2 (C21 H18 BrN5 O2)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[1,2-a]pyrazin-3-amine

IUPAC name

N-(2H-13-benzodioxol-5-yl)-6-bromo-2-[4-(dimethylamino)phenyl]imidazo[12-a]pyrazin-3-amine

SMILES

CN(C)c(cc1)ccc1-c1c(Nc(cc2)cc3c2OCO3)n(cc(nc2)Br)c2n1

InChI

InChI=1S/C21H18BrN5O2/c1-26(2)15-6-3-13(4-7-15)20-21(27-11-18(22)23-10-19(27)25-20)24-14-5-8-16-17(9-14)29-12-28-16/h3-11,24H,12H2,1-2H3

InChI Key

RDSKRGCWXJEDIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13369524

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.31

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.518

Distribution Coefficient, logD

4.518

Water Solubility, LogSw

-4.29

Polar Surface Area

46.980

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

7.98

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

J022-0869 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Mechanism of action:
  • PPI modulators
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with J022-0869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J022-0869?
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What is the minimum amount of J022-0869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J022-0869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J022-0869
  • 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 J022-0869 available by request