L646-0521 Screening compound: 1-{5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

L646-0521 Screening compound: 1-{5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
L646-0521 Screening compound: 1-{5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L646-0521
1-{5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

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

L646-0521

Molecular Formula

C25H21F3N4O2S (C25 H21 F3 N4 O2 S)

Compound Name

1-{5-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{5-[5-(4-methylphenyl)-124-oxadiazol-3-yl]thiophene-2-carbonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc(cc1)ccc1-c1nc(-c2ccc(C(N(CC3)CCN3c3cc(C(F)(F)F)ccc3)=O)s2)no1

InChI

InChI=1S/C25H21F3N4O2S/c1-16-5-7-17(8-6-16)23-29-22(30-34-23)20-9-10-21(35-20)24(33)32-13-11-31(12-14-32)19-4-2-3-18(15-19)25(26,27)28/h2-10,15H,11-14H2,1H3

InChI Key

FWHHCHWXJZQBJQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27467317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

6.449

Distribution Coefficient, logD

6.449

Water Solubility, LogSw

-5.79

Polar Surface Area

52.571

Acid Dissociation Constant (pKa)

28.37

Base Dissociation Constant (pKb)

1.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

L646-0521 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with L646-0521 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L646-0521?
Check Price and Availability of L646-0521, 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 L646-0521 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L646-0521
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L646-0521
  • 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 L646-0521 available by request