L830-0179 Screening compound: 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

L830-0179 Screening compound: 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide
L830-0179 Screening compound: 3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L830-0179
3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

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

L830-0179

Molecular Formula

C21H19N5O4S2 (C21 H19 N5 O4 S2)

Compound Name

3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-1,2,4-oxadiazole-5-carboxamide

IUPAC name

3-[3-(2-methyl-13-thiazol-4-yl)phenyl]-N-[2-(4-sulfamoylphenyl)ethyl]-124-oxadiazole-5-carboxamide

SMILES

Cc1nc(-c2cccc(-c3noc(C(NCCc(cc4)ccc4S(N)(=O)=O)=O)n3)c2)cs1

InChI

InChI=1S/C21H19N5O4S2/c1-13-24-18(12-31-13)15-3-2-4-16(11-15)19-25-21(30-26-19)20(27)23-10-9-14-5-7-17(8-6-14)32(22,28)29/h2-8,11-12H,9-10H2,1H3,(H,23,27)(H2,22,28,29)

InChI Key

VMPQRZLRHLJBCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478789

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.55

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.706

Distribution Coefficient, logD

2.705

Water Solubility, LogSw

-3.39

Polar Surface Area

116.314

Acid Dissociation Constant (pKa)

10.18

Base Dissociation Constant (pKb)

2.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

L830-0179 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Antibacterial Compounds Library (13827 compounds)

Carbonic Anhydrase II Library (4939 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Immune system
  • animal

References: we are preparing a list of scientific research reports with L830-0179 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L830-0179?
Check Price and Availability of L830-0179, 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 L830-0179 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L830-0179
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L830-0179
  • 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 L830-0179 available by request