J022-0876 Screening compound: 3-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-bromoimidazo[1,2-a]pyrazin-2-yl}phenol

J022-0876 Screening compound: 3-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-bromoimidazo[1,2-a]pyrazin-2-yl}phenol
J022-0876 Screening compound: 3-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-bromoimidazo[1,2-a]pyrazin-2-yl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound J022-0876
3-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-bromoimidazo[1,2-a]pyrazin-2-yl}phenol

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

J022-0876

Molecular Formula

C19H13BrN4O3 (C19 H13 BrN4 O3)

Compound Name

3-{3-[(2H-1,3-benzodioxol-5-yl)amino]-6-bromoimidazo[1,2-a]pyrazin-2-yl}phenol

IUPAC name

3-{3-[(2H-13-benzodioxol-5-yl)amino]-6-bromoimidazo[12-a]pyrazin-2-yl}phenol

SMILES

Oc1cccc(-c2c(Nc(cc3)cc4c3OCO4)n(cc(nc3)Br)c3n2)c1

InChI

InChI=1S/C19H13BrN4O3/c20-16-9-24-17(8-21-16)23-18(11-2-1-3-13(25)6-11)19(24)22-12-4-5-14-15(7-12)27-10-26-14/h1-9,22,25H,10H2

InChI Key

VOMYIQRCYYKVJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.24

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.119

Water Solubility, LogSw

-4.03

Polar Surface Area

61.792

Acid Dissociation Constant (pKa)

9.80

Base Dissociation Constant (pKb)

4.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.30

J022-0876 in Drug Discovery

Included in Screening Libraries

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

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Targeted Diversity Library (40567 compounds)

Carbonic Anhydrase II Library (4939 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J022-0876 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J022-0876?
Check Price and Availability of J022-0876, 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 J022-0876 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J022-0876
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J022-0876
  • 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 J022-0876 available by request