L259-0688 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-one

L259-0688 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-one
L259-0688 Screening compound: 1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L259-0688
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-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

L259-0688

Molecular Formula

C27H27N3O2S (C27 H27 N3 O2 S)

Compound Name

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-one

IUPAC name

1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-[2-(phenylsulfanyl)-1H-indol-3-yl]ethan-1-one

SMILES

COc1cccc(N(CC2)CCN2C(Cc(c(cccc2)c2[nH]2)c2Sc2ccccc2)=O)c1

InChI

InChI=1S/C27H27N3O2S/c1-32-21-9-7-8-20(18-21)29-14-16-30(17-15-29)26(31)19-24-23-12-5-6-13-25(23)28-27(24)33-22-10-3-2-4-11-22/h2-13,18,28H,14-17,19H2,1H3

InChI Key

SAFKMMOYYIMUFK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD15121182

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.6

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.212

Distribution Coefficient, logD

5.212

Water Solubility, LogSw

-5.39

Polar Surface Area

36.372

Acid Dissociation Constant (pKa)

16.33

Base Dissociation Constant (pKb)

5.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

L259-0688 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with L259-0688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L259-0688?
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What is the minimum amount of L259-0688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L259-0688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L259-0688
  • 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 L259-0688 available by request