C301-2101 Screening compound: 3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid

C301-2101 Screening compound: 3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid
C301-2101 Screening compound: 3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-2101
3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid

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

C301-2101

Molecular Formula

C21H19N5O2 (C21 H19 N5 O2)

Compound Name

3-{[3-(3,5-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid

IUPAC name

3-{[3-(35-dimethyl-1H-pyrazol-1-yl)quinoxalin-2-yl]amino}-4-methylbenzoic acid

SMILES

Cc1cc(C)nn1-c1nc2ccccc2nc1Nc1c(C)ccc(C(O)=O)c1

InChI

InChI=1S/C21H19N5O2/c1-12-8-9-15(21(27)28)11-18(12)23-19-20(26-14(3)10-13(2)25-26)24-17-7-5-4-6-16(17)22-19/h4-11H,1-3H3,(H,22,23)(H,27,28)

InChI Key

LQBPMIKMXMLOOL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14742422

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

373.41

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.406

Distribution Coefficient, logD

1.530

Water Solubility, LogSw

-4.21

Polar Surface Area

68.239

Acid Dissociation Constant (pKa)

4.52

Base Dissociation Constant (pKb)

4.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

C301-2101 in Drug Discovery

Included in Screening Libraries

C-Met Library (15277 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Kinases
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-2101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-2101?
Check Price and Availability of C301-2101, 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 C301-2101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-2101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-2101
  • 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 C301-2101 available by request