C623-1150 Screening compound: 2-(1,3-benzodioxol-5-yl)-1-[(4-chloroanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-1150 Screening compound: 2-(1,3-benzodioxol-5-yl)-1-[(4-chloroanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-1150 Screening compound: 2-(1,3-benzodioxol-5-yl)-1-[(4-chloroanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-1150
2-(1,3-benzodioxol-5-yl)-1-[(4-chloroanilino)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

C623-1150

Molecular Formula

C22H17ClN3O4 (C22 H17 ClN3 O4)

Compound Name

2-(1,3-benzodioxol-5-yl)-1-[(4-chloroanilino)carbonyl]-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

IUPAC name

2-(2H-13-benzodioxol-5-yl)-1-[(4-chlorophenyl)carbamoyl]-3-oxo-1H2H3H4H-5lambda5-pyrido[12-a]pyrazin-5-ylium

SMILES

O=C(C(c1[n+](CC2=O)cccc1)N2c(cc1)cc2c1OCO2)Nc(cc1)ccc1Cl

InChI

InChI=1S/C22H16ClN3O4/c23-14-4-6-15(7-5-14)24-22(28)21-17-3-1-2-10-25(17)12-20(27)26(21)16-8-9-18-19(11-16)30-13-29-18/h1-11,21H,12-13H2/p+1/t21-/m1/s1

InChI Key

SWTXZXFLACTMKC-OAQYLSRUSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

422.85

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.074

Water Solubility, LogSw

-3.54

Polar Surface Area

57.210

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C623-1150 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C623-1150 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-1150?
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What is the minimum amount of C623-1150 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-1150
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-1150
  • 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 C623-1150 available by request