C623-1695 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-1-methyl-3-oxo-2-(2-thienylmethyl)-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-1695 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-1-methyl-3-oxo-2-(2-thienylmethyl)-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-1695 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-1-methyl-3-oxo-2-(2-thienylmethyl)-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-1695
1-[(2,6-dimethylanilino)carbonyl]-1-methyl-3-oxo-2-(2-thienylmethyl)-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-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

C623-1695

Molecular Formula

C23H24N3O2S (C23 H24 N3 O2 S)

Compound Name

1-[(2,6-dimethylanilino)carbonyl]-1-methyl-3-oxo-2-(2-thienylmethyl)-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

IUPAC name

1-[(26-dimethylphenyl)carbamoyl]-1-methyl-3-oxo-2-[(thiophen-2-yl)methyl]-1H2H3H4H-5lambda5-pyrido[12-a]pyrazin-5-ylium

SMILES

CC(C(Nc1c(C)cccc1C)=O)(c1[n+](C2)cccc1)N(Cc1cccs1)C2=O

InChI

InChI=1S/C23H23N3O2S/c1-16-8-6-9-17(2)21(16)24-22(28)23(3)19-11-4-5-12-25(19)15-20(27)26(23)14-18-10-7-13-29-18/h4-13H,14-15H2,1-3H3/p+1/t23-/m1/s1

InChI Key

FKWIMCQXBMGOHI-HSZRJFAPSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

406.53

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.232

Distribution Coefficient, logD

3.232

Water Solubility, LogSw

-3.25

Polar Surface Area

40.163

Acid Dissociation Constant (pKa)

11.20

Base Dissociation Constant (pKb)

-2.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.10

C623-1695 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with C623-1695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-1695?
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What is the minimum amount of C623-1695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-1695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-1695
  • 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 C623-1695 available by request