Y031-4477 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

Y031-4477 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide
Y031-4477 Screening compound: N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4477
N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

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

Y031-4477

Molecular Formula

C20H21N3O4S (C20 H21 N3 O4 S)

Compound Name

N-(6-ethoxy-1,3-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

IUPAC name

N-(6-ethoxy-13-benzothiazol-2-yl)-1-(furan-2-carbonyl)piperidine-4-carboxamide

SMILES

CCOc(cc1)cc2c1nc(NC(C(CC1)CCN1C(c1ccco1)=O)=O)s2

InChI

InChI=1S/C20H21N3O4S/c1-2-26-14-5-6-15-17(12-14)28-20(21-15)22-18(24)13-7-9-23(10-8-13)19(25)16-4-3-11-27-16/h3-6,11-13H,2,7-10H2,1H3,(H,21,22,24)

InChI Key

DNFMQZJQIIZGMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07401168

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.226

Distribution Coefficient, logD

3.226

Water Solubility, LogSw

-3.39

Polar Surface Area

65.441

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

Y031-4477 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y031-4477 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4477?
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What is the minimum amount of Y031-4477 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4477
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4477
  • 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 Y031-4477 available by request