T001-0582 Screening compound: 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-2-butyn-1-one

T001-0582 Screening compound: 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-2-butyn-1-one
T001-0582 Screening compound: 1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-2-butyn-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound T001-0582
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-2-butyn-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

T001-0582

Molecular Formula

C16H15N3O2 (C16 H15 N3 O2)

Compound Name

1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)-1-pyrrolidinyl]-2-butyn-1-one

IUPAC name

1-[2-(3-phenyl-124-oxadiazol-5-yl)pyrrolidin-1-yl]but-2-yn-1-one

SMILES

CC#CC(N(CCC1)C1c1nc(-c2ccccc2)no1)=O

InChI

InChI=1S/C16H15N3O2/c1-2-7-14(20)19-11-6-10-13(19)16-17-15(18-21-16)12-8-4-3-5-9-12/h3-5,8-9,13H,6,10-11H2,1H3/t13-/m0/s1

InChI Key

ZYQOBSPXIHVXAI-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD32259641

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.31

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

3.220

Distribution Coefficient, logD

3.220

Water Solubility, LogSw

-3.12

Polar Surface Area

48.097

Acid Dissociation Constant (pKa)

27.17

Base Dissociation Constant (pKb)

-5.58

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.25

T001-0582 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

Covalent Fragments Smart Library (839 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with T001-0582 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T001-0582?
Check Price and Availability of T001-0582, 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 T001-0582 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T001-0582
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T001-0582
  • 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 T001-0582 available by request