D101-0583 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

D101-0583 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide
D101-0583 Screening compound: 3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0583
3-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl}propanamide

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

D101-0583

Molecular Formula

C21H18N4O5 (C21 H18 N4 O5)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C21H18N4O5/c1-29-14-8-6-13(7-9-14)19-23-18(30-24-19)12-22-17(26)10-11-25-20(27)15-4-2-3-5-16(15)21(25)28/h2-9H,10-12H2,1H3,(H,22,26)

InChI Key

NDCQSXUIPJGZHI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14811834

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.644

Distribution Coefficient, logD

2.644

Water Solubility, LogSw

-3.14

Polar Surface Area

92.828

Acid Dissociation Constant (pKa)

12.76

Base Dissociation Constant (pKb)

-4.97

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with D101-0583 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0583?
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What is the minimum amount of D101-0583 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0583
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0583
  • 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 D101-0583 available by request