Y041-9516 Screening compound: 2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one

Y041-9516 Screening compound: 2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one
Y041-9516 Screening compound: 2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-9516
2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-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

Y041-9516

Molecular Formula

C21H21F3N4O2 (C21 H21 F3 N4 O2)

Compound Name

2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one

IUPAC name

2-(4-methoxy-1H-indol-1-yl)-1-{4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl}ethan-1-one

SMILES

COc1cccc2c1ccn2CC(N(CC1)CCN1c1ncc(C(F)(F)F)cc1)=O

InChI

InChI=1S/C21H21F3N4O2/c1-30-18-4-2-3-17-16(18)7-8-28(17)14-20(29)27-11-9-26(10-12-27)19-6-5-15(13-25-19)21(22,23)24/h2-8,13H,9-12,14H2,1H3

InChI Key

MUGDKCQJKKRHPG-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.42

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.35

Polar Surface Area

37.962

Acid Dissociation Constant (pKa)

23.10

Base Dissociation Constant (pKb)

3.35

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with Y041-9516 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-9516?
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What is the minimum amount of Y041-9516 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-9516
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-9516
  • 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 Y041-9516 available by request