C301-9318 Screening compound: benzyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

C301-9318 Screening compound: benzyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate
C301-9318 Screening compound: benzyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-9318
benzyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxaline-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

C301-9318

Molecular Formula

C28H28N4O2 (C28 H28 N4 O2)

Compound Name

benzyl 3-[4-(2,5-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

IUPAC name

benzyl 3-[4-(25-dimethylphenyl)piperazin-1-yl]quinoxaline-2-carboxylate

SMILES

Cc1cc(N(CC2)CCN2c2nc3ccccc3nc2C(OCc2ccccc2)=O)c(C)cc1

InChI

InChI=1S/C28H28N4O2/c1-20-12-13-21(2)25(18-20)31-14-16-32(17-15-31)27-26(29-23-10-6-7-11-24(23)30-27)28(33)34-19-22-8-4-3-5-9-22/h3-13,18H,14-17,19H2,1-2H3

InChI Key

IYQRAQWYCITJRK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26964097

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.499

Distribution Coefficient, logD

6.499

Water Solubility, LogSw

-5.66

Polar Surface Area

45.144

Acid Dissociation Constant (pKa)

24.42

Base Dissociation Constant (pKb)

3.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

C301-9318 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-9318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-9318?
Check Price and Availability of C301-9318, 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 C301-9318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-9318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-9318
  • 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 C301-9318 available by request