L588-0136 Screening compound: 2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole

L588-0136 Screening compound: 2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole
L588-0136 Screening compound: 2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole alternative view

Chemical Structure Depiction of ChemDiv screening compound L588-0136
2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole

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

L588-0136

Molecular Formula

C21H18F3N3O2 (C21 H18 F3 N3 O2)

Compound Name

2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole

IUPAC name

2-{4-[2-(trifluoromethyl)benzoyl]piperazine-1-carbonyl}-1H-indole

SMILES

O=C(c1cc(cccc2)c2[nH]1)N(CC1)CCN1C(c1c(C(F)(F)F)cccc1)=O

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)16-7-3-2-6-15(16)19(28)26-9-11-27(12-10-26)20(29)18-13-14-5-1-4-8-17(14)25-18/h1-8,13,25H,9-12H2

InChI Key

BTWGVQPXBDDXIQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27463968

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.492

Distribution Coefficient, logD

3.492

Water Solubility, LogSw

-3.75

Polar Surface Area

42.692

Acid Dissociation Constant (pKa)

15.07

Base Dissociation Constant (pKb)

-3.09

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

L588-0136 in Drug Discovery

Included in Screening Libraries

Indole Derivatives (10091 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with L588-0136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound L588-0136?
Check Price and Availability of L588-0136, 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 L588-0136 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for L588-0136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for L588-0136
  • 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 L588-0136 available by request