4581-1639 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole

4581-1639 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole
4581-1639 Screening compound: 3-(3,4-dimethoxyphenyl)-5-(4-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4581-1639
3-(3,4-dimethoxyphenyl)-5-(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

4581-1639

Molecular Formula

C16H13N3O5 (C16 H13 N3 O5)

Compound Name

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

IUPAC name

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

SMILES

COc(ccc(-c1noc(-c(cc2)ccc2[N+]([O-])=O)n1)c1)c1OC

InChI

InChI=1S/C16H13N3O5/c1-22-13-8-5-11(9-14(13)23-2)15-17-16(24-18-15)10-3-6-12(7-4-10)19(20)21/h3-9H,1-2H3

InChI Key

PZQAQWVWFUVFHR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02922230

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.3

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

3.760

Distribution Coefficient, logD

3.760

Water Solubility, LogSw

-4.16

Polar Surface Area

80.287

Acid Dissociation Constant (pKa)

32.43

Base Dissociation Constant (pKb)

-4.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

4581-1639 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 4581-1639 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4581-1639?
Check Price and Availability of 4581-1639, 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 4581-1639 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4581-1639
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4581-1639
  • 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 4581-1639 available by request