4953-1268 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole

4953-1268 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole
4953-1268 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4953-1268
3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole

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

4953-1268

Molecular Formula

C17H15N3O5 (C17 H15 N3 O5)

Compound Name

3-(3,4-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

3-(34-dimethoxyphenyl)-5-(3-methyl-4-nitrophenyl)-124-oxadiazole

SMILES

Cc(cc(cc1)-c2nc(-c(cc3)cc(OC)c3OC)no2)c1[N+]([O-])=O

InChI

InChI=1S/C17H15N3O5/c1-10-8-12(4-6-13(10)20(21)22)17-18-16(19-25-17)11-5-7-14(23-2)15(9-11)24-3/h4-9H,1-3H3

InChI Key

XVNSLHIUTWRZNW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03255565

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

341.32

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.172

Distribution Coefficient, logD

4.172

Water Solubility, LogSw

-4.50

Polar Surface Area

79.986

Acid Dissociation Constant (pKa)

27.19

Base Dissociation Constant (pKb)

-3.93

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

References: we are preparing a list of scientific research reports with 4953-1268 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4953-1268?
Check Price and Availability of 4953-1268, 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 4953-1268 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4953-1268
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4953-1268
  • 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 4953-1268 available by request