D101-0552 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

D101-0552 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide
D101-0552 Screening compound: 4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0552
4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

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

D101-0552

Molecular Formula

C22H20N4O5 (C22 H20 N4 O5)

Compound Name

4-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}butanamide

IUPAC name

4-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-124-oxadiazol-5-yl]methyl}butanamide

SMILES

COc(cc1)ccc1-c1noc(CNC(CCCN(C(c2c3cccc2)=O)C3=O)=O)n1

InChI

InChI=1S/C22H20N4O5/c1-30-15-10-8-14(9-11-15)20-24-19(31-25-20)13-23-18(27)7-4-12-26-21(28)16-5-2-3-6-17(16)22(26)29/h2-3,5-6,8-11H,4,7,12-13H2,1H3,(H,23,27)

InChI Key

ATCJDIGVDJVCPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07629263

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

420.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.391

Distribution Coefficient, logD

2.391

Water Solubility, LogSw

-2.85

Polar Surface Area

92.828

Acid Dissociation Constant (pKa)

13.10

Base Dissociation Constant (pKb)

-3.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

References: we are preparing a list of scientific research reports with D101-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0552?
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What is the minimum amount of D101-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0552
  • 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 D101-0552 available by request