D079-0087 Screening compound: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(propan-2-yl)aniline

D079-0087 Screening compound: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(propan-2-yl)aniline
D079-0087 Screening compound: N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(propan-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D079-0087
N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-4-(propan-2-yl)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

D079-0087

Molecular Formula

C18H19N3O (C18 H19 N3 O)

Compound Name

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

IUPAC name

N-[(5-phenyl-134-oxadiazol-2-yl)methyl]-4-(propan-2-yl)aniline

SMILES

CC(C)c(cc1)ccc1NCc1nnc(-c2ccccc2)o1

InChI

InChI=1S/C18H19N3O/c1-13(2)14-8-10-16(11-9-14)19-12-17-20-21-18(22-17)15-6-4-3-5-7-15/h3-11,13,19H,12H2,1-2H3

InChI Key

DOHWYEZWGYSSTJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06763112

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

293.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.374

Distribution Coefficient, logD

4.374

Water Solubility, LogSw

-4.24

Polar Surface Area

40.654

Acid Dissociation Constant (pKa)

19.93

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

D079-0087 in Drug Discovery

Included in Screening Libraries

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular

References: we are preparing a list of scientific research reports with D079-0087 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D079-0087?
Check Price and Availability of D079-0087, 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 D079-0087 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D079-0087
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D079-0087
  • 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 D079-0087 available by request