Y041-8339 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-4-oxobutanamide

Y041-8339 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-4-oxobutanamide
Y041-8339 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-8339
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-(4-methoxyphenyl)-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

Y041-8339

Molecular Formula

C22H24N4O3S (C22 H24 N4 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1NC(CCC(N(CC1)CCN1c1nsc2c1cccc2)=O)=O

InChI

InChI=1S/C22H24N4O3S/c1-29-17-8-6-16(7-9-17)23-20(27)10-11-21(28)25-12-14-26(15-13-25)22-18-4-2-3-5-19(18)30-24-22/h2-9H,10-15H2,1H3,(H,23,27)

InChI Key

PEXWNJMOYPZORG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD13757739

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.211

Distribution Coefficient, logD

3.211

Water Solubility, LogSw

-3.53

Polar Surface Area

60.466

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.82

Y041-8339 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 Y041-8339 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-8339?
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What is the minimum amount of Y041-8339 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-8339
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-8339
  • 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 Y041-8339 available by request