L829-0181 Screening compound: N-({3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

L829-0181 Screening compound: N-({3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide
L829-0181 Screening compound: N-({3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L829-0181
N-({3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

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

L829-0181

Molecular Formula

C20H17FN4O3S2 (C20 H17 FN4 O3 S2)

Compound Name

N-({3-[3-(2-ethyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

IUPAC name

N-({3-[3-(2-ethyl-13-thiazol-4-yl)phenyl]-124-oxadiazol-5-yl}methyl)-4-fluorobenzene-1-sulfonamide

SMILES

CCc1nc(-c2cccc(-c3noc(CNS(c(cc4)ccc4F)(=O)=O)n3)c2)cs1

InChI

InChI=1S/C20H17FN4O3S2/c1-2-19-23-17(12-29-19)13-4-3-5-14(10-13)20-24-18(28-25-20)11-22-30(26,27)16-8-6-15(21)7-9-16/h3-10,12,22H,2,11H2,1H3

InChI Key

VDGUYZHFXMNLJH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478665

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.193

Distribution Coefficient, logD

5.121

Water Solubility, LogSw

-5.21

Polar Surface Area

83.569

Acid Dissociation Constant (pKa)

8.14

Base Dissociation Constant (pKb)

2.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.00

L829-0181 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with L829-0181 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L829-0181?
Check Price and Availability of L829-0181, 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 L829-0181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L829-0181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L829-0181
  • 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 L829-0181 available by request