C623-2715 Screening compound: 2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyanilino)carbonyl]-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-2715 Screening compound: 2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyanilino)carbonyl]-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-2715 Screening compound: 2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyanilino)carbonyl]-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-2715
2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyanilino)carbonyl]-1-methyl-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

C623-2715

Molecular Formula

C25H25BrN3O3 (C25 H25 BrN3 O3)

Compound Name

2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyanilino)carbonyl]-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

IUPAC name

2-(3-bromo-4-methylphenyl)-1-[(4-ethoxyphenyl)carbamoyl]-1-methyl-3-oxo-1H2H3H4H-5lambda5-pyrido[12-a]pyrazin-5-ylium

SMILES

CCOc(cc1)ccc1NC(C(C)(c1[n+](CC2=O)cccc1)N2c1cc(Br)c(C)cc1)=O

InChI

InChI=1S/C25H24BrN3O3/c1-4-32-20-12-9-18(10-13-20)27-24(31)25(3)22-7-5-6-14-28(22)16-23(30)29(25)19-11-8-17(2)21(26)15-19/h5-15H,4,16H2,1-3H3/p+1/t25-/m1/s1

InChI Key

YXMCFUTZIKBMOI-RUZDIDTESA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

495.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.883

Distribution Coefficient, logD

4.883

Water Solubility, LogSw

-4.43

Polar Surface Area

47.052

Acid Dissociation Constant (pKa)

11.31

Base Dissociation Constant (pKb)

-1.87

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

C623-2715 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 C623-2715 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-2715?
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What is the minimum amount of C623-2715 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-2715
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-2715
  • 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 C623-2715 available by request