T620-2245 Screening compound: 3-(3-pyridyl)-5-[(2S)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-1,2,4-oxadiazole

T620-2245 Screening compound: 3-(3-pyridyl)-5-[(2S)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-1,2,4-oxadiazole
T620-2245 Screening compound: 3-(3-pyridyl)-5-[(2S)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound T620-2245
3-(3-pyridyl)-5-[(2S)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-1,2,4-oxadiazole

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

T620-2245

Molecular Formula

C16H16N4OS (C16 H16 N4 OS)

Compound Name

3-(3-pyridyl)-5-[(2S)-1-(2-thienylmethyl)tetrahydro-1H-pyrrol-2-yl]-1,2,4-oxadiazole

IUPAC name

3-{5-[(2S)-1-[(thiophen-2-yl)methyl]pyrrolidin-2-yl]-124-oxadiazol-3-yl}pyridine

SMILES

C(c1cccs1)N(CCC1)[C@@H]1c1nc(-c2cnccc2)no1

InChI

InChI=1S/C16H16N4OS/c1-4-12(10-17-7-1)15-18-16(21-19-15)14-6-2-8-20(14)11-13-5-3-9-22-13/h1,3-5,7,9-10,14H,2,6,8,11H2/t14-/m0/s1

InChI Key

JKDXWGHHAMFTHP-AWEZNQCLSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.754

Distribution Coefficient, logD

2.116

Water Solubility, LogSw

-2.54

Polar Surface Area

46.139

Acid Dissociation Constant (pKa)

26.78

Base Dissociation Constant (pKb)

7.93

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

T620-2245 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

SmartTM Library (51161 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 T620-2245 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T620-2245?
Check Price and Availability of T620-2245, 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 T620-2245 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T620-2245
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T620-2245
  • 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 T620-2245 available by request