Y041-6398 Screening compound: 2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

Y041-6398 Screening compound: 2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide
Y041-6398 Screening compound: 2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6398
2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]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

Y041-6398

Molecular Formula

C20H25N5O2 (C20 H25 N5 O2)

Compound Name

2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

IUPAC name

2-[5-(4-methoxyphenyl)-3-methyl-1H-pyrazol-4-yl]-N-[(135-trimethyl-1H-pyrazol-4-yl)methyl]acetamide

SMILES

Cc1c(CNC(Cc2c(-c(cc3)ccc3OC)[nH]nc2C)=O)c(C)nn1C

InChI

InChI=1S/C20H25N5O2/c1-12-17(20(23-22-12)15-6-8-16(27-5)9-7-15)10-19(26)21-11-18-13(2)24-25(4)14(18)3/h6-9H,10-11H2,1-5H3,(H,21,26)(H,22,23)

InChI Key

SIHBMPSWQBWXGU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27963231

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.889

Distribution Coefficient, logD

1.889

Water Solubility, LogSw

-2.32

Polar Surface Area

70.659

Acid Dissociation Constant (pKa)

12.24

Base Dissociation Constant (pKb)

3.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y041-6398 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 Y041-6398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6398?
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What is the minimum amount of Y041-6398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6398
  • 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 Y041-6398 available by request