C301-5246 Screening compound: 1-[4-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one

C301-5246 Screening compound: 1-[4-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one
C301-5246 Screening compound: 1-[4-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-5246
1-[4-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one

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

C301-5246

Molecular Formula

C27H29N7O3S (C27 H29 N7 O3 S)

Compound Name

1-[4-({4-[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one

IUPAC name

1-[4-({4-[3-(35-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl}sulfonyl)phenyl]pyrrolidin-2-one

SMILES

Cc1cc(C)nn1-c1nc2ccccc2nc1N(CC1)CCN1S(c(cc1)ccc1N(CCC1)C1=O)(=O)=O

InChI

InChI=1S/C27H29N7O3S/c1-19-18-20(2)34(30-19)27-26(28-23-6-3-4-7-24(23)29-27)31-14-16-32(17-15-31)38(36,37)22-11-9-21(10-12-22)33-13-5-8-25(33)35/h3-4,6-7,9-12,18H,5,8,13-17H2,1-2H3

InChI Key

AEXHEXORZBEOTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

531.64

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.678

Distribution Coefficient, logD

3.676

Water Solubility, LogSw

-3.82

Polar Surface Area

82.697

Acid Dissociation Constant (pKa)

14.51

Base Dissociation Constant (pKb)

4.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C301-5246 in Drug Discovery

Included in Screening Libraries

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

PI3K-Targeted Library (17255 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C301-5246 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-5246?
Check Price and Availability of C301-5246, 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 C301-5246 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-5246
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-5246
  • 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 C301-5246 available by request