6070-1601 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate

6070-1601 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate
6070-1601 Screening compound: 2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6070-1601
2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate

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

6070-1601

Molecular Formula

C13H9ClN2O3 (C13 H9 ClN2 O3)

Compound Name

2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate

IUPAC name

2-(4-chlorophenyl)-2-oxoethyl pyrazine-2-carboxylate

SMILES

O=C(COC(c1nccnc1)=O)c(cc1)ccc1Cl

InChI

InChI=1S/C13H9ClN2O3/c14-10-3-1-9(2-4-10)12(17)8-19-13(18)11-7-15-5-6-16-11/h1-7H,8H2

InChI Key

RBWGFUGSDXYAIH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02325924

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

276.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.349

Distribution Coefficient, logD

1.349

Water Solubility, LogSw

-2.19

Polar Surface Area

52.909

Acid Dissociation Constant (pKa)

22.35

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

6070-1601 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6070-1601 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6070-1601?
Check Price and Availability of 6070-1601, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6070-1601 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6070-1601
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6070-1601
  • 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 6070-1601 available by request