C623-1635 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C623-1635 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C623-1635 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-1-methyl-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C623-1635
1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-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

C623-1635

Molecular Formula

C22H18ClFN3O2 (C22 H18 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

CC(C(Nc(cc1)ccc1Cl)=O)(c1[n+](CC2=O)cccc1)N2c(cc1)ccc1F

InChI

InChI=1S/C22H17ClFN3O2/c1-22(21(29)25-17-9-5-15(23)6-10-17)19-4-2-3-13-26(19)14-20(28)27(22)18-11-7-16(24)8-12-18/h2-13H,14H2,1H3/p+1/t22-/m1/s1

InChI Key

QHNZQQZRYMTXLO-JOCHJYFZSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

410.86

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

3.758

Distribution Coefficient, logD

3.757

Water Solubility, LogSw

-4.39

Polar Surface Area

39.929

Acid Dissociation Constant (pKa)

9.84

Base Dissociation Constant (pKb)

-3.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.60

C623-1635 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 C623-1635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C623-1635?
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What is the minimum amount of C623-1635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C623-1635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C623-1635
  • 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 C623-1635 available by request