L703-5631 Screening compound: (2E)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

L703-5631 Screening compound: (2E)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one
L703-5631 Screening compound: (2E)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L703-5631
(2E)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

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

L703-5631

Molecular Formula

C21H21N3O3S (C21 H21 N3 O3 S)

Compound Name

(2E)-1-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

IUPAC name

(2E)-1-{4-[5-(3-methoxyphenyl)-124-oxadiazol-3-yl]piperidin-1-yl}-3-(thiophen-2-yl)prop-2-en-1-one

SMILES

COc1cccc(-c2nc(C(CC3)CCN3C(/C=C/c3cccs3)=O)no2)c1

InChI

InChI=1S/C21H21N3O3S/c1-26-17-5-2-4-16(14-17)21-22-20(23-27-21)15-9-11-24(12-10-15)19(25)8-7-18-6-3-13-28-18/h2-8,13-15H,9-12H2,1H3

InChI Key

YAZZAYLBVYELGJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27471421

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.48

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.797

Distribution Coefficient, logD

3.797

Water Solubility, LogSw

-4.06

Polar Surface Area

56.327

Acid Dissociation Constant (pKa)

26.55

Base Dissociation Constant (pKb)

3.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

L703-5631 in Drug Discovery

Included in Screening Libraries

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with L703-5631 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L703-5631?
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What is the minimum amount of L703-5631 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L703-5631
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L703-5631
  • 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 L703-5631 available by request