D079-0120 Screening compound: 2,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline

D079-0120 Screening compound: 2,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline
D079-0120 Screening compound: 2,5-dimethyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D079-0120
2,5-dimethyl-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

D079-0120

Molecular Formula

C17H17N3O (C17 H17 N3 O)

Compound Name

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

IUPAC name

25-dimethyl-N-[(5-phenyl-134-oxadiazol-2-yl)methyl]aniline

SMILES

Cc1cc(NCc2nnc(-c3ccccc3)o2)c(C)cc1

InChI

InChI=1S/C17H17N3O/c1-12-8-9-13(2)15(10-12)18-11-16-19-20-17(21-16)14-6-4-3-5-7-14/h3-10,18H,11H2,1-2H3

InChI Key

OXLLIIREFKBQON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763122

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

279.34

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.446

Distribution Coefficient, logD

3.446

Water Solubility, LogSw

-3.56

Polar Surface Area

39.956

Acid Dissociation Constant (pKa)

19.99

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

D079-0120 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D079-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D079-0120?
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What is the minimum amount of D079-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D079-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D079-0120
  • 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 D079-0120 available by request