L829-0491 Screening compound: 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-1,2,4-oxadiazole

L829-0491 Screening compound: 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-1,2,4-oxadiazole
L829-0491 Screening compound: 3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound L829-0491
3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-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

L829-0491

Molecular Formula

C21H17N3O2S (C21 H17 N3 O2 S)

Compound Name

3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-1,2,4-oxadiazole

IUPAC name

3-[3-(2-cyclopropyl-13-thiazol-4-yl)phenyl]-5-(phenoxymethyl)-124-oxadiazole

SMILES

C(c1nc(-c2cccc(-c3csc(C4CC4)n3)c2)no1)Oc1ccccc1

InChI

InChI=1S/C21H17N3O2S/c1-2-7-17(8-3-1)25-12-19-23-20(24-26-19)16-6-4-5-15(11-16)18-13-27-21(22-18)14-9-10-14/h1-8,11,13-14H,9-10,12H2

InChI Key

RZUAKKDZLBHMIY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27478755

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

375.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.705

Distribution Coefficient, logD

5.704

Water Solubility, LogSw

-6.09

Polar Surface Area

48.795

Acid Dissociation Constant (pKa)

23.73

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

L829-0491 in Drug Discovery

Included in Screening Libraries

SmartTM Library (51161 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L829-0491 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L829-0491?
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What is the minimum amount of L829-0491 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L829-0491
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L829-0491
  • 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 L829-0491 available by request