J022-0723 Screening compound: methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate

J022-0723 Screening compound: methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate
J022-0723 Screening compound: methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound J022-0723
methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate

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

J022-0723

Molecular Formula

C21H17BrN4O2S (C21 H17 BrN4 O2 S)

Compound Name

methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-yl}amino)benzoate

IUPAC name

methyl 2-({6-bromo-2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyrazin-3-yl}amino)benzoate

SMILES

COC(c(cccc1)c1Nc1c(-c(cc2)ccc2SC)nc(cn2)n1cc2Br)=O

InChI

InChI=1S/C21H17BrN4O2S/c1-28-21(27)15-5-3-4-6-16(15)24-20-19(13-7-9-14(29-2)10-8-13)25-18-11-23-17(22)12-26(18)20/h3-12,24H,1-2H3

InChI Key

ABUGMKRIMUPDOZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27218900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.36

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.356

Distribution Coefficient, logD

5.356

Water Solubility, LogSw

-5.30

Polar Surface Area

47.536

Acid Dissociation Constant (pKa)

16.15

Base Dissociation Constant (pKb)

3.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

J022-0723 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with J022-0723 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J022-0723?
Check Price and Availability of J022-0723, 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 J022-0723 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J022-0723
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J022-0723
  • 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 J022-0723 available by request