C169-0301 Screening compound: 7-(carbamoylmethyl)-3-[(2,6-dimethylphenyl)amino]-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium

C169-0301 Screening compound: 7-(carbamoylmethyl)-3-[(2,6-dimethylphenyl)amino]-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium
C169-0301 Screening compound: 7-(carbamoylmethyl)-3-[(2,6-dimethylphenyl)amino]-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C169-0301
7-(carbamoylmethyl)-3-[(2,6-dimethylphenyl)amino]-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium

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

C169-0301

Molecular Formula

C23H24N5OS (C23 H24 N5 OS)

Compound Name

7-(carbamoylmethyl)-3-[(2,6-dimethylphenyl)amino]-2-[4-(methylsulfanyl)phenyl]imidazo[1,2-a]pyrazin-7-ium

IUPAC name

n/a

SMILES

Cc1cccc(C)c1Nc1c(-c(cc2)ccc2SC)nc2n1cc[n+](CC(N)=O)c2

InChI

InChI=1S/C23H23N5OS/c1-15-5-4-6-16(2)21(15)26-23-22(17-7-9-18(30-3)10-8-17)25-20-14-27(13-19(24)29)11-12-28(20)23/h4-12,14H,13H2,1-3H3,(H2,24,29)/p+1

InChI Key

CPCXCYZNDMWPFQ-UHFFFAOYSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.54

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.393

Distribution Coefficient, logD

3.393

Water Solubility, LogSw

-3.56

Polar Surface Area

52.628

Acid Dissociation Constant (pKa)

15.14

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.40

C169-0301 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Nucleic Acid Ligands (8311 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with C169-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C169-0301?
Check Price and Availability of C169-0301, 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 C169-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C169-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C169-0301
  • 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 C169-0301 available by request