4951-0995 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole

4951-0995 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole
4951-0995 Screening compound: 3-(3,4-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4951-0995
3-(3,4-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-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

4951-0995

Molecular Formula

C18H18N2O4 (C18 H18 N2 O4)

Compound Name

3-(3,4-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-1,2,4-oxadiazole

IUPAC name

3-(34-dimethoxyphenyl)-5-[(3-methylphenoxy)methyl]-124-oxadiazole

SMILES

Cc1cccc(OCc2nc(-c(cc3)cc(OC)c3OC)no2)c1

InChI

InChI=1S/C18H18N2O4/c1-12-5-4-6-14(9-12)23-11-17-19-18(20-24-17)13-7-8-15(21-2)16(10-13)22-3/h4-10H,11H2,1-3H3

InChI Key

LHCFNBRPDRVZGI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02216528

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

326.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.121

Distribution Coefficient, logD

4.121

Water Solubility, LogSw

-4.45

Polar Surface Area

54.070

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

-5.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4951-0995 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with 4951-0995 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4951-0995?
Check Price and Availability of 4951-0995, 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 4951-0995 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4951-0995
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4951-0995
  • 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 4951-0995 available by request