V030-4961 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

V030-4961 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide
V030-4961 Screening compound: N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound V030-4961
N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

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

V030-4961

Molecular Formula

C21H20FN3O5 (C21 H20 FN3 O5)

Compound Name

N-{2-[3-(2H-1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

IUPAC name

N-{2-[3-(2H-13-benzodioxol-5-yl)-124-oxadiazol-5-yl]ethyl}-3-fluoro-N-(2-methoxyethyl)benzamide

SMILES

COCCN(CCc1nc(-c(cc2)cc3c2OCO3)no1)C(c1cccc(F)c1)=O

InChI

InChI=1S/C21H20FN3O5/c1-27-10-9-25(21(26)15-3-2-4-16(22)11-15)8-7-19-23-20(24-30-19)14-5-6-17-18(12-14)29-13-28-17/h2-6,11-12H,7-10,13H2,1H3

InChI Key

XRHOACVQVMXBNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD20494129

Chemical and Physical Properties

Saltdata

not_available

Molecular Weight

413.41

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.289

Distribution Coefficient, logD

3.289

Water Solubility, LogSw

-3.53

Polar Surface Area

73.207

Acid Dissociation Constant (pKa)

28.22

Base Dissociation Constant (pKb)

-2.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

V030-4961 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with V030-4961 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound V030-4961?
Check Price and Availability of V030-4961, 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 V030-4961 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for V030-4961
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for V030-4961
  • 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 V030-4961 available by request