Y041-6014 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide

Y041-6014 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide
Y041-6014 Screening compound: 4-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-6014
4-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide

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

Y041-6014

Molecular Formula

C23H27N3OS (C23 H27 N3 OS)

Compound Name

4-(1,3-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide

IUPAC name

4-(13-benzothiazol-2-yl)-N-(1-benzylpiperidin-4-yl)butanamide

SMILES

O=C(CCCc1nc(cccc2)c2s1)NC1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C23H27N3OS/c27-22(11-6-12-23-25-20-9-4-5-10-21(20)28-23)24-19-13-15-26(16-14-19)17-18-7-2-1-3-8-18/h1-5,7-10,19H,6,11-17H2,(H,24,27)

InChI Key

GYKKAGXUBOPDEN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD17579788

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.55

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.864

Distribution Coefficient, logD

2.306

Water Solubility, LogSw

-4.00

Polar Surface Area

37.920

Acid Dissociation Constant (pKa)

16.14

Base Dissociation Constant (pKb)

8.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

Y041-6014 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-6014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-6014?
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What is the minimum amount of Y041-6014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-6014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-6014
  • 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 Y041-6014 available by request