C169-0266 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium

C169-0266 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium
C169-0266 Screening compound: 1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-3-oxo-1H,2H,3H,4H-pyrido[1,2-a]pyrazin-5-ium alternative view

Chemical Structure Depiction of ChemDiv screening compound C169-0266
1-[(4-chloroanilino)carbonyl]-2-(4-fluorophenyl)-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

C169-0266

Molecular Formula

C21H16ClFN3O2 (C21 H16 ClFN3 O2)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H15ClFN3O2/c22-14-4-8-16(9-5-14)24-21(28)20-18-3-1-2-12-25(18)13-19(27)26(20)17-10-6-15(23)7-11-17/h1-12,20H,13H2/p+1/t20-/m1/s1

InChI Key

OSCDNOSEBPJDIW-HXUWFJFHSA-O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

I-

Molecular Weight

396.83

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

3.133

Distribution Coefficient, logD

3.132

Water Solubility, LogSw

-3.54

Polar Surface Area

40.095

Acid Dissociation Constant (pKa)

10.09

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

9.50

C169-0266 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 C169-0266 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C169-0266?
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What is the minimum amount of C169-0266 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C169-0266
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C169-0266
  • 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 C169-0266 available by request