8010-4461 Screening compound: 2-biphenyl-4-yl-2-oxoethyl pyrazine-2-carboxylate

8010-4461 Screening compound: 2-biphenyl-4-yl-2-oxoethyl pyrazine-2-carboxylate
8010-4461 Screening compound: 2-biphenyl-4-yl-2-oxoethyl pyrazine-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-4461
2-biphenyl-4-yl-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

8010-4461

Molecular Formula

C19H14N2O3 (C19 H14 N2 O3)

Compound Name

2-biphenyl-4-yl-2-oxoethyl pyrazine-2-carboxylate

IUPAC name

2-{[11'-biphenyl]-4-yl}-2-oxoethyl pyrazine-2-carboxylate

SMILES

O=C(COC(c1nccnc1)=O)c(cc1)ccc1-c1ccccc1

InChI

InChI=1S/C19H14N2O3/c22-18(13-24-19(23)17-12-20-10-11-21-17)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-12H,13H2

InChI Key

BNYWAWPGPIOJJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01834239

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.33

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.32

Polar Surface Area

52.637

Acid Dissociation Constant (pKa)

22.74

Base Dissociation Constant (pKb)

-2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.26

8010-4461 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-4461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-4461?
Check Price and Availability of 8010-4461, 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 8010-4461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-4461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-4461
  • 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 8010-4461 available by request