L821-1542 Screening compound: N-[(5-{5-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

L821-1542 Screening compound: N-[(5-{5-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide
L821-1542 Screening compound: N-[(5-{5-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound L821-1542
N-[(5-{5-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

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

L821-1542

Molecular Formula

C20H20N4O3S (C20 H20 N4 O3 S)

Compound Name

N-[(5-{5-[(4-acetamidophenyl)methyl]-1,2,4-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

IUPAC name

N-[(5-{5-[(4-acetamidophenyl)methyl]-124-oxadiazol-3-yl}thiophen-2-yl)methyl]cyclopropanecarboxamide

SMILES

CC(Nc1ccc(Cc2nc(-c3ccc(CNC(C4CC4)=O)s3)no2)cc1)=O

InChI

InChI=1S/C20H20N4O3S/c1-12(25)22-15-6-2-13(3-7-15)10-18-23-19(24-27-18)17-9-8-16(28-17)11-21-20(26)14-4-5-14/h2-3,6-9,14H,4-5,10-11H2,1H3,(H,21,26)(H,22,25)

InChI Key

SNKYBNMFKTWFRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27477396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.196

Distribution Coefficient, logD

3.196

Water Solubility, LogSw

-3.34

Polar Surface Area

80.527

Acid Dissociation Constant (pKa)

13.11

Base Dissociation Constant (pKb)

1.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

L821-1542 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with L821-1542 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L821-1542?
Check Price and Availability of L821-1542, 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 L821-1542 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L821-1542
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L821-1542
  • 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 L821-1542 available by request