D349-2844 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline

D349-2844 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline
D349-2844 Screening compound: 2-nitro-N-(prop-2-en-1-yl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound D349-2844
2-nitro-N-(prop-2-en-1-yl)-4-[3-(3,4,5-trimethoxyphenyl)-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

D349-2844

Molecular Formula

C20H20N4O6 (C20 H20 N4 O6)

Compound Name

2-nitro-N-(prop-2-en-1-yl)-4-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]aniline

IUPAC name

2-nitro-N-(prop-2-en-1-yl)-4-[3-(345-trimethoxyphenyl)-124-oxadiazol-5-yl]aniline

SMILES

COc1cc(-c2noc(-c(cc3)cc([N+]([O-])=O)c3NCC=C)n2)cc(OC)c1OC

InChI

InChI=1S/C20H20N4O6/c1-5-8-21-14-7-6-12(9-15(14)24(25)26)20-22-19(23-30-20)13-10-16(27-2)18(29-4)17(11-13)28-3/h5-7,9-11,21H,1,8H2,2-4H3

InChI Key

SKCWKKKHWJNEKA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14821516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.4

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.837

Distribution Coefficient, logD

3.837

Water Solubility, LogSw

-4.16

Polar Surface Area

97.352

Acid Dissociation Constant (pKa)

17.22

Base Dissociation Constant (pKb)

-1.36

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

References: we are preparing a list of scientific research reports with D349-2844 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D349-2844?
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What is the minimum amount of D349-2844 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D349-2844
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D349-2844
  • 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 D349-2844 available by request