Y044-4771 Screening compound: 2-[(1-isobutyl-1H-indol-4-yl)oxy]-N~1~-[2-(1H-pyrazol-1-yl)ethyl]acetamide

Y044-4771 Screening compound: 2-[(1-isobutyl-1H-indol-4-yl)oxy]-N~1~-[2-(1H-pyrazol-1-yl)ethyl]acetamide
Y044-4771 Screening compound: 2-[(1-isobutyl-1H-indol-4-yl)oxy]-N~1~-[2-(1H-pyrazol-1-yl)ethyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-4771
2-[(1-isobutyl-1H-indol-4-yl)oxy]-N~1~-[2-(1H-pyrazol-1-yl)ethyl]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

Y044-4771

Molecular Formula

C19H24N4O2 (C19 H24 N4 O2)

Compound Name

2-[(1-isobutyl-1H-indol-4-yl)oxy]-N~1~-[2-(1H-pyrazol-1-yl)ethyl]acetamide

IUPAC name

2-{[1-(2-methylpropyl)-1H-indol-4-yl]oxy}-N-[2-(1H-pyrazol-1-yl)ethyl]acetamide

SMILES

CC(C)Cn1c2cccc(OCC(NCCn3nccc3)=O)c2cc1

InChI

InChI=1S/C19H24N4O2/c1-15(2)13-22-11-7-16-17(22)5-3-6-18(16)25-14-19(24)20-9-12-23-10-4-8-21-23/h3-8,10-11,15H,9,12-14H2,1-2H3,(H,20,24)

InChI Key

GSWBPLFYEYBPMX-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

340.43

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.175

Distribution Coefficient, logD

2.175

Water Solubility, LogSw

-2.64

Polar Surface Area

48.749

Acid Dissociation Constant (pKa)

14.75

Base Dissociation Constant (pKb)

1.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.84

Y044-4771 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-4771 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-4771?
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What is the minimum amount of Y044-4771 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-4771
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-4771
  • 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 Y044-4771 available by request