L839-1642 Screening compound: 1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine

L839-1642 Screening compound: 1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine
L839-1642 Screening compound: 1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L839-1642
1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine

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

L839-1642

Molecular Formula

C19H20N4O3S2 (C19 H20 N4 O3 S2)

Compound Name

1-{[4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine

IUPAC name

1-{[4-(5-cyclopropyl-134-oxadiazol-2-yl)thiophen-2-yl]sulfonyl}-4-phenylpiperazine

SMILES

O=S(c1cc(-c2nnc(C3CC3)o2)cs1)(N(CC1)CCN1c1ccccc1)=O

InChI

InChI=1S/C19H20N4O3S2/c24-28(25,23-10-8-22(9-11-23)16-4-2-1-3-5-16)17-12-15(13-27-17)19-21-20-18(26-19)14-6-7-14/h1-5,12-14H,6-11H2

InChI Key

CREXJLCBPHOJIZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27479197

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.332

Distribution Coefficient, logD

3.332

Water Solubility, LogSw

-3.60

Polar Surface Area

66.995

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

2.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.80

L839-1642 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L839-1642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L839-1642?
Check Price and Availability of L839-1642, 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 L839-1642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L839-1642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L839-1642
  • 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 L839-1642 available by request