L464-0522 Screening compound: 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

L464-0522 Screening compound: 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine
L464-0522 Screening compound: 1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound L464-0522
1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-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

L464-0522

Molecular Formula

C20H20F3N3O3S2 (C20 H20 F3 N3 O3 S2)

Compound Name

1-{[5-(3,4-dimethyl-1,2-oxazol-5-yl)thiophen-2-yl]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-{[5-(34-dimethyl-12-oxazol-5-yl)thiophen-2-yl]sulfonyl}-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc1c(-c(s2)ccc2S(N(CC2)CCN2c2cc(C(F)(F)F)ccc2)(=O)=O)onc1C

InChI

InChI=1S/C20H20F3N3O3S2/c1-13-14(2)24-29-19(13)17-6-7-18(30-17)31(27,28)26-10-8-25(9-11-26)16-5-3-4-15(12-16)20(21,22)23/h3-7,12H,8-11H2,1-2H3

InChI Key

IXSNLXVZZWQKSU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27254556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

471.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.759

Distribution Coefficient, logD

4.759

Water Solubility, LogSw

-4.61

Polar Surface Area

58.573

Acid Dissociation Constant (pKa)

24.60

Base Dissociation Constant (pKb)

5.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

L464-0522 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with L464-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L464-0522?
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What is the minimum amount of L464-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L464-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L464-0522
  • 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 L464-0522 available by request