D349-3659 Screening compound: N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline

D349-3659 Screening compound: N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
D349-3659 Screening compound: N-[(2-methoxyphenyl)methyl]-2-nitro-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-3659
N-[(2-methoxyphenyl)methyl]-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

D349-3659

Molecular Formula

C19H20N4O4 (C19 H20 N4 O4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)c1noc(-c(cc2)cc([N+]([O-])=O)c2NCc(cccc2)c2OC)n1

InChI

InChI=1S/C19H20N4O4/c1-12(2)18-21-19(27-22-18)13-8-9-15(16(10-13)23(24)25)20-11-14-6-4-5-7-17(14)26-3/h4-10,12,20H,11H2,1-3H3

InChI Key

DPEHLHRRLDROIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821771

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

368.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.646

Distribution Coefficient, logD

4.646

Water Solubility, LogSw

-4.46

Polar Surface Area

82.163

Acid Dissociation Constant (pKa)

16.54

Base Dissociation Constant (pKb)

-3.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

D349-3659 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D349-3659 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-3659?
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What is the minimum amount of D349-3659 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-3659
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-3659
  • 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 D349-3659 available by request