D101-0115 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

D101-0115 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide
D101-0115 Screening compound: 2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D101-0115
2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

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

D101-0115

Molecular Formula

C23H22N4O4 (C23 H22 N4 O4)

Compound Name

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

IUPAC name

2-(13-dioxo-23-dihydro-1H-isoindol-2-yl)-N-{[3-(3-methylphenyl)-124-oxadiazol-5-yl]methyl}-N-(propan-2-yl)acetamide

SMILES

CC(C)N(Cc1nc(-c2cc(C)ccc2)no1)C(CN(C(c1c2cccc1)=O)C2=O)=O

InChI

InChI=1S/C23H22N4O4/c1-14(2)26(12-19-24-21(25-31-19)16-8-6-7-15(3)11-16)20(28)13-27-22(29)17-9-4-5-10-18(17)23(27)30/h4-11,14H,12-13H2,1-3H3

InChI Key

BTEYCKFYVNDMCG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05853934

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.45

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

3.664

Water Solubility, LogSw

-3.90

Polar Surface Area

76.533

Acid Dissociation Constant (pKa)

24.07

Base Dissociation Constant (pKb)

-3.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

References: we are preparing a list of scientific research reports with D101-0115 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D101-0115?
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What is the minimum amount of D101-0115 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D101-0115
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D101-0115
  • 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 D101-0115 available by request