C623-1112 Screening compound: 2-(4-chlorophenyl)-1-[(2,6-dimethylanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-1112 Screening compound: 2-(4-chlorophenyl)-1-[(2,6-dimethylanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-1112 Screening compound: 2-(4-chlorophenyl)-1-[(2,6-dimethylanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-1112
2-(4-chlorophenyl)-1-[(2,6-dimethylanilino)carbonyl]-3-oxo-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

C623-1112

Molecular Formula

C23H21ClN3O2 (C23 H21 ClN3 O2)

Compound Name

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

IUPAC name

2-(4-chlorophenyl)-1-[(26-dimethylphenyl)carbamoyl]-3-oxo-1H2H3H4H-5lambda5-pyrido[12-a]pyrazin-5-ylium

SMILES

Cc1cccc(C)c1NC(C(c1[n+](CC2=O)cccc1)N2c(cc1)ccc1Cl)=O

InChI

InChI=1S/C23H20ClN3O2/c1-15-6-5-7-16(2)21(15)25-23(29)22-19-8-3-4-13-26(19)14-20(28)27(22)18-11-9-17(24)10-12-18/h3-13,22H,14H2,1-2H3/p+1/t22-/m1/s1

InChI Key

KVHSUEPRLMSFTH-JOCHJYFZSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

406.89

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.479

Distribution Coefficient, logD

3.479

Water Solubility, LogSw

-3.76

Polar Surface Area

38.699

Acid Dissociation Constant (pKa)

11.41

Base Dissociation Constant (pKb)

-2.72

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.40

C623-1112 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C623-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-1112?
Check Price and Availability of C623-1112, 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 C623-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-1112
  • 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 C623-1112 available by request