E701-0117 Screening compound: N-[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-quinoxalinyl]-N-(2-methoxyethyl)amine

E701-0117 Screening compound: N-[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-quinoxalinyl]-N-(2-methoxyethyl)amine
E701-0117 Screening compound: N-[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-quinoxalinyl]-N-(2-methoxyethyl)amine alternative view

Chemical Structure Depiction of ChemDiv screening compound E701-0117
N-[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-quinoxalinyl]-N-(2-methoxyethyl)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

E701-0117

Molecular Formula

C16H18ClN5O (C16 H18 ClN5 O)

Compound Name

N-[6-chloro-3-(3,5-dimethyl-1H-pyrazol-1-yl)-2-quinoxalinyl]-N-(2-methoxyethyl)amine

IUPAC name

6-chloro-3-(35-dimethyl-1H-pyrazol-1-yl)-N-(2-methoxyethyl)quinoxalin-2-amine

SMILES

Cc1cc(C)nn1-c1c(NCCOC)nc(ccc(Cl)c2)c2n1

InChI

InChI=1S/C16H18ClN5O/c1-10-8-11(2)22(21-10)16-15(18-6-7-23-3)19-13-5-4-12(17)9-14(13)20-16/h4-5,8-9H,6-7H2,1-3H3,(H,18,19)

InChI Key

AFIMAANCHKNNLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27601150

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.8

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.320

Distribution Coefficient, logD

3.320

Water Solubility, LogSw

-3.59

Polar Surface Area

50.306

Acid Dissociation Constant (pKa)

17.47

Base Dissociation Constant (pKb)

4.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.25

E701-0117 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

C-Met Library (15277 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with E701-0117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E701-0117?
Check Price and Availability of E701-0117, 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 E701-0117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E701-0117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E701-0117
  • 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 E701-0117 available by request