D079-0055 Screening compound: 2,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

D079-0055 Screening compound: 2,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
D079-0055 Screening compound: 2,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D079-0055
2,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

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

D079-0055

Molecular Formula

C17H17N3O3 (C17 H17 N3 O3)

Compound Name

2,4-dimethoxy-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

IUPAC name

24-dimethoxy-N-[(5-phenyl-134-oxadiazol-2-yl)methyl]aniline

SMILES

COc(cc1)cc(OC)c1NCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C17H17N3O3/c1-21-13-8-9-14(15(10-13)22-2)18-11-16-19-20-17(23-16)12-6-4-3-5-7-12/h3-10,18H,11H2,1-2H3

InChI Key

XYSGZVCZPIAKRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07528079

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.870

Distribution Coefficient, logD

2.870

Water Solubility, LogSw

-3.34

Polar Surface Area

55.131

Acid Dissociation Constant (pKa)

18.28

Base Dissociation Constant (pKb)

1.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D079-0055 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with D079-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D079-0055?
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What is the minimum amount of D079-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D079-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D079-0055
  • 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 D079-0055 available by request