S421-0891 Screening compound: 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1-(morpholin-4-yl)ethan-1-one

S421-0891 Screening compound: 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1-(morpholin-4-yl)ethan-1-one
S421-0891 Screening compound: 2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1-(morpholin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S421-0891
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1-(morpholin-4-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

S421-0891

Molecular Formula

C16H23N3O3S (C16 H23 N3 O3 S)

Compound Name

2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)pyrrolidin-3-yl]-1-(morpholin-4-yl)ethan-1-one

IUPAC name

n/a

SMILES

Cc1c(C(N2CC(CC(N3CCOCC3)=O)CC2)=O)sc(C)n1

InChI

InChI=1S/C16H23N3O3S/c1-11-15(23-12(2)17-11)16(21)19-4-3-13(10-19)9-14(20)18-5-7-22-8-6-18/h13H,3-10H2,1-2H3/t13-/m0/s1

InChI Key

AHRMWCOHIPPBED-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD28993676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

337.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.985

Distribution Coefficient, logD

0.985

Water Solubility, LogSw

-1.53

Polar Surface Area

51.604

Acid Dissociation Constant (pKa)

24.52

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

68.75

S421-0891 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

NOTUM (Wnt signaling) Library (3881 compounds)

Soluble Diversity Library (15920 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 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 S421-0891 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S421-0891?
Check Price and Availability of S421-0891, 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 S421-0891 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S421-0891
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S421-0891
  • 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 S421-0891 available by request