Y041-8472 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide

Y041-8472 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide
Y041-8472 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8472
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide

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

Y041-8472

Molecular Formula

C21H23N5O2S (C21 H23 N5 O2 S)

Compound Name

4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide

IUPAC name

4-[4-(12-benzothiazol-3-yl)piperazin-1-yl]-N-(3-methylpyridin-2-yl)-4-oxobutanamide

SMILES

Cc1cccnc1NC(CCC(N(CC1)CCN1c1nsc2c1cccc2)=O)=O

InChI

InChI=1S/C21H23N5O2S/c1-15-5-4-10-22-20(15)23-18(27)8-9-19(28)25-11-13-26(14-12-25)21-16-6-2-3-7-17(16)29-24-21/h2-7,10H,8-9,11-14H2,1H3,(H,22,23,27)

InChI Key

ZOCFKWVOAJOXMG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD16625709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

409.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.845

Distribution Coefficient, logD

2.845

Water Solubility, LogSw

-3.10

Polar Surface Area

62.610

Acid Dissociation Constant (pKa)

10.31

Base Dissociation Constant (pKb)

3.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

Y041-8472 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with Y041-8472 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8472?
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What is the minimum amount of Y041-8472 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8472
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8472
  • 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 Y041-8472 available by request