Y031-4278 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

Y031-4278 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide
Y031-4278 Screening compound: 1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-4278
1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-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

Y031-4278

Molecular Formula

C20H22FN3O2S (C20 H22 FN3 O2 S)

Compound Name

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-3-carboxamide

IUPAC name

1-[2-(4-fluorophenyl)ethyl]-5-oxo-N-(4567-tetrahydro-13-benzothiazol-2-yl)pyrrolidine-3-carboxamide

SMILES

O=C(C(C1)CN(CCc(cc2)ccc2F)C1=O)Nc1nc(CCCC2)c2s1

InChI

InChI=1S/C20H22FN3O2S/c21-15-7-5-13(6-8-15)9-10-24-12-14(11-18(24)25)19(26)23-20-22-16-3-1-2-4-17(16)27-20/h5-8,14H,1-4,9-12H2,(H,22,23,26)/t14-/m0/s1

InChI Key

PRJHNGDXHQXONZ-AWEZNQCLSA-N

MDL Number (MFCD)

MFCD07401065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.967

Distribution Coefficient, logD

2.637

Water Solubility, LogSw

-3.33

Polar Surface Area

51.972

Acid Dissociation Constant (pKa)

7.34

Base Dissociation Constant (pKb)

4.18

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

45.00

Y031-4278 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • 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 Y031-4278 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-4278?
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What is the minimum amount of Y031-4278 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-4278
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-4278
  • 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 Y031-4278 available by request