C301-8279 Screening compound: 2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline

C301-8279 Screening compound: 2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline
C301-8279 Screening compound: 2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-8279
2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline

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

C301-8279

Molecular Formula

C17H15ClN6O (C17 H15 ClN6 O)

Compound Name

2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline

IUPAC name

2-chloro-3-[4-(pyrimidin-2-yl)piperazine-1-carbonyl]quinoxaline

SMILES

O=C(c1nc2ccccc2nc1Cl)N(CC1)CCN1c1ncccn1

InChI

InChI=1S/C17H15ClN6O/c18-15-14(21-12-4-1-2-5-13(12)22-15)16(25)23-8-10-24(11-9-23)17-19-6-3-7-20-17/h1-7H,8-11H2

InChI Key

XLQKAWLCPRENDZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14745341

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

354.8

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.77

Polar Surface Area

56.850

Acid Dissociation Constant (pKa)

21.08

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

C301-8279 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with C301-8279 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-8279?
Check Price and Availability of C301-8279, 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 C301-8279 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-8279
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-8279
  • 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 C301-8279 available by request