L309-0084 Screening compound: 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

L309-0084 Screening compound: 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one
L309-0084 Screening compound: 6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L309-0084
6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-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

L309-0084

Molecular Formula

C24H27N5O5S (C24 H27 N5 O5 S)

Compound Name

6-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-3,4-dihydro-2H-1,4-benzoxazin-3-one

IUPAC name

6-{[4-(25-dimethylphenyl)piperazin-1-yl]sulfonyl}-4-[(5-methyl-124-oxadiazol-3-yl)methyl]-34-dihydro-2H-14-benzoxazin-3-one

SMILES

Cc1nc(CN2c(cc(cc3)S(N(CC4)CCN4c4c(C)ccc(C)c4)(=O)=O)c3OCC2=O)no1

InChI

InChI=1S/C24H27N5O5S/c1-16-4-5-17(2)20(12-16)27-8-10-28(11-9-27)35(31,32)19-6-7-22-21(13-19)29(24(30)15-33-22)14-23-25-18(3)34-26-23/h4-7,12-13H,8-11,14-15H2,1-3H3

InChI Key

DCOLSSZUTLQNLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27243941

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.58

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.327

Distribution Coefficient, logD

3.327

Water Solubility, LogSw

-3.77

Polar Surface Area

90.906

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

4.43

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

L309-0084 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 L309-0084 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L309-0084?
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What is the minimum amount of L309-0084 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L309-0084
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L309-0084
  • 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 L309-0084 available by request