C301-3315 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine

C301-3315 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine
C301-3315 Screening compound: N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound C301-3315
N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine

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

C301-3315

Molecular Formula

C26H30ClN7 (C26 H30 ClN7)

Compound Name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(3,5-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine

IUPAC name

N-{2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl}-3-(35-dimethyl-1H-pyrazol-1-yl)-6-methylquinoxalin-2-amine

SMILES

Cc1cc(C)nn1-c1nc2cc(C)ccc2nc1NCCN(CC1)CCN1c1cccc(Cl)c1

InChI

InChI=1S/C26H30ClN7/c1-18-7-8-23-24(15-18)30-26(34-20(3)16-19(2)31-34)25(29-23)28-9-10-32-11-13-33(14-12-32)22-6-4-5-21(27)17-22/h4-8,15-17H,9-14H2,1-3H3,(H,28,29)

InChI Key

KTRPUJWKHMDUMK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14743072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.02

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.994

Distribution Coefficient, logD

4.841

Water Solubility, LogSw

-4.87

Polar Surface Area

48.935

Acid Dissociation Constant (pKa)

16.81

Base Dissociation Constant (pKb)

7.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.60

C301-3315 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

C-Met Library (15277 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Endocrine
Targets:
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C301-3315 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-3315?
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What is the minimum amount of C301-3315 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C301-3315
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C301-3315
  • 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 C301-3315 available by request