V014-3551 Screening compound: 3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-nitrophenyl)-1,2,4-oxadiazole

V014-3551 Screening compound: 3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-nitrophenyl)-1,2,4-oxadiazole
V014-3551 Screening compound: 3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-nitrophenyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound V014-3551
3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-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

V014-3551

Molecular Formula

C22H17N3O4 (C22 H17 N3 O4)

Compound Name

3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-nitrophenyl)-1,2,4-oxadiazole

IUPAC name

3-{4-[(2-methylphenyl)methoxy]phenyl}-5-(3-nitrophenyl)-124-oxadiazole

SMILES

Cc1c(COc(cc2)ccc2-c2noc(-c3cccc([N+]([O-])=O)c3)n2)cccc1

InChI

InChI=1S/C22H17N3O4/c1-15-5-2-3-6-18(15)14-28-20-11-9-16(10-12-20)21-23-22(29-24-21)17-7-4-8-19(13-17)25(26)27/h2-13H,14H2,1H3

InChI Key

IHLVOWUZWYKOHG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19911010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

387.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.072

Distribution Coefficient, logD

6.072

Water Solubility, LogSw

-5.74

Polar Surface Area

72.253

Acid Dissociation Constant (pKa)

28.43

Base Dissociation Constant (pKb)

-6.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

References: we are preparing a list of scientific research reports with V014-3551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V014-3551?
Check Price and Availability of V014-3551, 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 V014-3551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V014-3551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V014-3551
  • 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 V014-3551 available by request