L499-0701 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

L499-0701 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide
L499-0701 Screening compound: 3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L499-0701
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]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

L499-0701

Molecular Formula

C22H18FN3O2S (C22 H18 FN3 O2 S)

Compound Name

3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

IUPAC name

3-[3-(4-fluorophenyl)-124-oxadiazol-5-yl]-N-[2-(3-methylthiophen-2-yl)ethyl]benzamide

SMILES

Cc1c(CCNC(c2cc(-c3nc(-c(cc4)ccc4F)no3)ccc2)=O)scc1

InChI

InChI=1S/C22H18FN3O2S/c1-14-10-12-29-19(14)9-11-24-21(27)16-3-2-4-17(13-16)22-25-20(26-28-22)15-5-7-18(23)8-6-15/h2-8,10,12-13H,9,11H2,1H3,(H,24,27)

InChI Key

VJFPPCKXWREDML-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27458353

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.075

Distribution Coefficient, logD

5.075

Water Solubility, LogSw

-4.78

Polar Surface Area

56.917

Acid Dissociation Constant (pKa)

13.59

Base Dissociation Constant (pKb)

-3.69

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

L499-0701 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L499-0701 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L499-0701?
Check Price and Availability of L499-0701, 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 L499-0701 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L499-0701
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L499-0701
  • 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 L499-0701 available by request