C623-1252 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-2-isopropyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-1252 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-2-isopropyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-1252 Screening compound: 1-[(2,6-dimethylanilino)carbonyl]-2-isopropyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-1252
1-[(2,6-dimethylanilino)carbonyl]-2-isopropyl-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

C623-1252

Molecular Formula

C20H24N3O2 (C20 H24 N3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C20H23N3O2/c1-13(2)23-17(24)12-22-11-6-5-10-16(22)19(23)20(25)21-18-14(3)8-7-9-15(18)4/h5-11,13,19H,12H2,1-4H3/p+1/t19-/m1/s1

InChI Key

VVOUZFIXDHCILF-LJQANCHMSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

338.43

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

2.167

Distribution Coefficient, logD

2.167

Water Solubility, LogSw

-2.47

Polar Surface Area

39.303

Acid Dissociation Constant (pKa)

11.45

Base Dissociation Constant (pKb)

-1.64

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.00

C623-1252 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 C623-1252 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-1252?
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What is the minimum amount of C623-1252 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-1252
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-1252
  • 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 C623-1252 available by request