P051-0581 Screening compound: 2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-1,3-thiazole

P051-0581 Screening compound: 2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-1,3-thiazole
P051-0581 Screening compound: 2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-1,3-thiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound P051-0581
2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-1,3-thiazole

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

P051-0581

Molecular Formula

C12H12N2OS2 (C12 H12 N2 OS2)

Compound Name

2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-1,3-thiazole

IUPAC name

2-(pyrrolidine-1-carbonyl)-4-(thiophen-2-yl)-13-thiazole

SMILES

O=C(c1nc(-c2cccs2)cs1)N1CCCC1

InChI

InChI=1S/C12H12N2OS2/c15-12(14-5-1-2-6-14)11-13-9(8-17-11)10-4-3-7-16-10/h3-4,7-8H,1-2,5-6H2

InChI Key

KTLRPFKUYJCKJU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27560950

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

264.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.126

Distribution Coefficient, logD

3.126

Water Solubility, LogSw

-3.10

Polar Surface Area

28.005

Acid Dissociation Constant (pKa)

28.32

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

P051-0581 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

Fragments Library (11262 compounds)

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Agro:
  • Agro
Structure:
  • Fragments
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with P051-0581 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P051-0581?
Check Price and Availability of P051-0581, 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 P051-0581 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P051-0581
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P051-0581
  • 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 P051-0581 available by request