D349-3621 Screening compound: N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3621 Screening compound: N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3621 Screening compound: N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3621
N-benzyl-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-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

D349-3621

Molecular Formula

C18H18N4O3 (C18 H18 N4 O3)

Compound Name

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

IUPAC name

N-benzyl-2-nitro-4-[3-(propan-2-yl)-124-oxadiazol-5-yl]aniline

SMILES

CC(C)c1noc(-c(cc2)cc([N+]([O-])=O)c2NCc2ccccc2)n1

InChI

InChI=1S/C18H18N4O3/c1-12(2)17-20-18(25-21-17)14-8-9-15(16(10-14)22(23)24)19-11-13-6-4-3-5-7-13/h3-10,12,19H,11H2,1-2H3

InChI Key

PFCMTQYJYKLKEK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.37

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.425

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.38

Polar Surface Area

74.533

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

-3.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with D349-3621 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3621?
Check Price and Availability of D349-3621, 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 D349-3621 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3621
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3621
  • 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 D349-3621 available by request