L588-0113 Screening compound: 2-(2,3-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethan-1-one

L588-0113 Screening compound: 2-(2,3-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethan-1-one
L588-0113 Screening compound: 2-(2,3-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0113
2-(2,3-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-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

L588-0113

Molecular Formula

C25H29N3O4 (C25 H29 N3 O4)

Compound Name

2-(2,3-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethan-1-one

IUPAC name

2-(23-diethoxyphenyl)-1-[4-(1H-indole-2-carbonyl)piperazin-1-yl]ethan-1-one

SMILES

CCOc1cccc(CC(N(CC2)CCN2C(c2cc(cccc3)c3[nH]2)=O)=O)c1OCC

InChI

InChI=1S/C25H29N3O4/c1-3-31-22-11-7-9-19(24(22)32-4-2)17-23(29)27-12-14-28(15-13-27)25(30)21-16-18-8-5-6-10-20(18)26-21/h5-11,16,26H,3-4,12-15,17H2,1-2H3

InChI Key

RBSBQRKOFHPMLU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463965

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.52

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.174

Distribution Coefficient, logD

4.174

Water Solubility, LogSw

-4.26

Polar Surface Area

56.672

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-1.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

L588-0113 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 L588-0113 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0113?
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What is the minimum amount of L588-0113 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0113
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0113
  • 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 L588-0113 available by request