Y041-0986 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-cyclopentyl-4-oxobutanamide

Y041-0986 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-cyclopentyl-4-oxobutanamide
Y041-0986 Screening compound: 4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-cyclopentyl-4-oxobutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0986
4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]-N-cyclopentyl-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

Y041-0986

Molecular Formula

C20H26N4O2S (C20 H26 N4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CCC(N(CC1)CCN1c1nsc2c1cccc2)=O)NC1CCCC1

InChI

InChI=1S/C20H26N4O2S/c25-18(21-15-5-1-2-6-15)9-10-19(26)23-11-13-24(14-12-23)20-16-7-3-4-8-17(16)27-22-20/h3-4,7-8,15H,1-2,5-6,9-14H2,(H,21,25)

InChI Key

ATFMGSANMJDDDG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18069929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.52

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.818

Distribution Coefficient, logD

2.818

Water Solubility, LogSw

-3.22

Polar Surface Area

54.335

Acid Dissociation Constant (pKa)

16.07

Base Dissociation Constant (pKb)

7.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.00

Y041-0986 in Drug Discovery

Included in Screening Libraries

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

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y041-0986 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0986?
Check Price and Availability of Y041-0986, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y041-0986 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0986
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0986
  • 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 Y041-0986 available by request