C169-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-amine

C169-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-amine
C169-0227 Screening compound: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C169-0227
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(methylsulfanyl)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

C169-0227

Molecular Formula

C21H18N4O2S (C21 H18 N4 O2 S)

Compound Name

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-3-amine

IUPAC name

N-(23-dihydro-14-benzodioxin-6-yl)-2-[4-(methylsulfanyl)phenyl]imidazo[12-a]pyrazin-3-amine

SMILES

CSc(cc1)ccc1-c1c(Nc(cc2)cc3c2OCCO3)n(ccnc2)c2n1

InChI

InChI=1S/C21H18N4O2S/c1-28-16-5-2-14(3-6-16)20-21(25-9-8-22-13-19(25)24-20)23-15-4-7-17-18(12-15)27-11-10-26-17/h2-9,12-13,23H,10-11H2,1H3

InChI Key

NLLBSTZVOIGDTQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08682294

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.316

Distribution Coefficient, logD

3.316

Water Solubility, LogSw

-3.47

Polar Surface Area

43.020

Acid Dissociation Constant (pKa)

18.75

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C169-0227 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with C169-0227 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C169-0227?
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What is the minimum amount of C169-0227 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C169-0227
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C169-0227
  • 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 C169-0227 available by request