C200-5080 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

C200-5080 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide
C200-5080 Screening compound: N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C200-5080
N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

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

C200-5080

Molecular Formula

C18H12ClF2N3O2S (C18 H12 ClF2 N3 O2 S)

Compound Name

N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-3,4-dihydropyrazin-2-yl]sulfanyl}acetamide

IUPAC name

N-(4-chloro-2-fluorophenyl)-2-{[4-(3-fluorophenyl)-3-oxo-34-dihydropyrazin-2-yl]sulfanyl}acetamide

SMILES

O=C(CSC1=NC=CN(c2cc(F)ccc2)C1=O)Nc(ccc(Cl)c1)c1F

InChI

InChI=1S/C18H12ClF2N3O2S/c19-11-4-5-15(14(21)8-11)23-16(25)10-27-17-18(26)24(7-6-22-17)13-3-1-2-12(20)9-13/h1-9H,10H2,(H,23,25)

InChI Key

MOKOZJUSBYLEMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08539956

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.83

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.825

Distribution Coefficient, logD

2.819

Water Solubility, LogSw

-3.50

Polar Surface Area

46.094

Acid Dissociation Constant (pKa)

9.27

Base Dissociation Constant (pKb)

-0.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

C200-5080 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C200-5080 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C200-5080?
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What is the minimum amount of C200-5080 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C200-5080
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C200-5080
  • 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 C200-5080 available by request