D321-0872 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide

D321-0872 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide
D321-0872 Screening compound: 4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D321-0872
4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-1,3-dioxo-2,3-dihydro-1H-isoindol-5-yl)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

D321-0872

Molecular Formula

C23H22N4O6 (C23 H22 N4 O6)

Compound Name

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

IUPAC name

4-[3-(34-dimethoxyphenyl)-124-oxadiazol-5-yl]-N-(2-methyl-13-dioxo-23-dihydro-1H-isoindol-5-yl)butanamide

SMILES

CN(C(c(cc1)c2cc1NC(CCCc1nc(-c(cc3)cc(OC)c3OC)no1)=O)=O)C2=O

InChI

InChI=1S/C23H22N4O6/c1-27-22(29)15-9-8-14(12-16(15)23(27)30)24-19(28)5-4-6-20-25-21(26-33-20)13-7-10-17(31-2)18(11-13)32-3/h7-12H,4-6H2,1-3H3,(H,24,28)

InChI Key

QYIUPAXVMRTONF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14819125

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.965

Distribution Coefficient, logD

2.964

Water Solubility, LogSw

-3.51

Polar Surface Area

99.010

Acid Dissociation Constant (pKa)

9.82

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.10

D321-0872 in Drug Discovery

Included in Screening Libraries

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

Antibacterial Compounds Library (13827 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D321-0872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D321-0872?
Check Price and Availability of D321-0872, 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 D321-0872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D321-0872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D321-0872
  • 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 D321-0872 available by request