Y300-0040 Screening compound: 3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

Y300-0040 Screening compound: 3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide
Y300-0040 Screening compound: 3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y300-0040
3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

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

Y300-0040

Molecular Formula

C18H18N4O4S2 (C18 H18 N4 O4 S2)

Compound Name

3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-1,2,4-oxadiazol-5-yl]methyl}benzamide

IUPAC name

3-(pyrrolidine-1-sulfonyl)-N-{[3-(thiophen-2-yl)-124-oxadiazol-5-yl]methyl}benzamide

SMILES

O=C(c1cccc(S(N2CCCC2)(=O)=O)c1)NCc1nc(-c2cccs2)no1

InChI

InChI=1S/C18H18N4O4S2/c23-18(19-12-16-20-17(21-26-16)15-7-4-10-27-15)13-5-3-6-14(11-13)28(24,25)22-8-1-2-9-22/h3-7,10-11H,1-2,8-9,12H2,(H,19,23)

InChI Key

MYBPXRRQDZTQPM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD18483976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.892

Distribution Coefficient, logD

2.892

Water Solubility, LogSw

-3.54

Polar Surface Area

89.090

Acid Dissociation Constant (pKa)

11.43

Base Dissociation Constant (pKb)

-4.01

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

Y300-0040 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with Y300-0040 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y300-0040?
Check Price and Availability of Y300-0040, 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 Y300-0040 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y300-0040
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y300-0040
  • 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 Y300-0040 available by request