L958-0379 Screening compound: 1-(azepan-1-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

L958-0379 Screening compound: 1-(azepan-1-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one
L958-0379 Screening compound: 1-(azepan-1-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L958-0379
1-(azepan-1-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

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

L958-0379

Molecular Formula

C21H23N3OS (C21 H23 N3 OS)

Compound Name

1-(azepan-1-yl)-2-[2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

IUPAC name

1-(azepan-1-yl)-2-[2-(4-phenyl-13-thiazol-2-yl)-1H-pyrrol-1-yl]ethan-1-one

SMILES

O=C(Cn1c(-c2nc(-c3ccccc3)cs2)ccc1)N1CCCCCC1

InChI

InChI=1S/C21H23N3OS/c25-20(23-12-6-1-2-7-13-23)15-24-14-8-11-19(24)21-22-18(16-26-21)17-9-4-3-5-10-17/h3-5,8-11,14,16H,1-2,6-7,12-13,15H2

InChI Key

LENASCAOZRXINA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27489862

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.979

Distribution Coefficient, logD

4.979

Water Solubility, LogSw

-4.74

Polar Surface Area

28.014

Acid Dissociation Constant (pKa)

23.68

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

L958-0379 in Drug Discovery

Included in Screening Libraries

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 L958-0379 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L958-0379?
Check Price and Availability of L958-0379, 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 L958-0379 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L958-0379
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L958-0379
  • 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 L958-0379 available by request