D101-0578 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

D101-0578 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide
D101-0578 Screening compound: N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0578
N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

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

D101-0578

Molecular Formula

C22H22N4O6S (C22 H22 N4 O6 S)

Compound Name

N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

IUPAC name

N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}-1-(4-methylbenzenesulfonyl)-5-oxopyrrolidine-2-carboxamide

SMILES

Cc(cc1)ccc1S(N(C(CC1)C(NCc2nc(-c(cc3)ccc3OC)no2)=O)C1=O)(=O)=O

InChI

InChI=1S/C22H22N4O6S/c1-14-3-9-17(10-4-14)33(29,30)26-18(11-12-20(26)27)22(28)23-13-19-24-21(25-32-19)15-5-7-16(31-2)8-6-15/h3-10,18H,11-13H2,1-2H3,(H,23,28)/t18-/m0/s1

InChI Key

KPMIHENUIBVVSW-SFHVURJKSA-N

MDL Number (MFCD)

MFCD07629446

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.681

Distribution Coefficient, logD

2.681

Water Solubility, LogSw

-3.22

Polar Surface Area

109.515

Acid Dissociation Constant (pKa)

12.84

Base Dissociation Constant (pKb)

-5.27

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

D101-0578 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with D101-0578 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0578?
Check Price and Availability of D101-0578, 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 D101-0578 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0578
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0578
  • 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 D101-0578 available by request