Y041-3464 Screening compound: N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

Y041-3464 Screening compound: N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide
Y041-3464 Screening compound: N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-3464
N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

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

Y041-3464

Molecular Formula

C21H23FN4O2 (C21 H23 FN4 O2)

Compound Name

N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H,3H,5H,6H,7H,8H,9H-cyclohepta[c]pyridazin-2-yl}acetamide

IUPAC name

N-[2-(6-fluoro-1H-indol-1-yl)ethyl]-2-{3-oxo-2H3H5H6H7H8H9H-cyclohepta[c]pyridazin-2-yl}acetamide

SMILES

O=C(CN1N=C(CCCCC2)C2=CC1=O)NCCn(cc1)c2c1ccc(F)c2

InChI

InChI=1S/C21H23FN4O2/c22-17-7-6-15-8-10-25(19(15)13-17)11-9-23-20(27)14-26-21(28)12-16-4-2-1-3-5-18(16)24-26/h6-8,10,12-13H,1-5,9,11,14H2,(H,23,27)

InChI Key

QEAJVHVCSXSEJY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27961267

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

382.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.622

Distribution Coefficient, logD

2.622

Water Solubility, LogSw

-3.08

Polar Surface Area

54.966

Acid Dissociation Constant (pKa)

14.74

Base Dissociation Constant (pKb)

-0.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

Y041-3464 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-3464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-3464?
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What is the minimum amount of Y041-3464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-3464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-3464
  • 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 Y041-3464 available by request