8013-3741 Screening compound: 3-(1H-indol-3-yl)-3-(trifluoromethyl)tetrahydro-2(1H)-pyrazinone

8013-3741 Screening compound: 3-(1H-indol-3-yl)-3-(trifluoromethyl)tetrahydro-2(1H)-pyrazinone
8013-3741 Screening compound: 3-(1H-indol-3-yl)-3-(trifluoromethyl)tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-3741
3-(1H-indol-3-yl)-3-(trifluoromethyl)tetrahydro-2(1H)-pyrazinone

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

8013-3741

Molecular Formula

C13H12F3N3O (C13 H12 F3 N3 O)

Compound Name

3-(1H-indol-3-yl)-3-(trifluoromethyl)tetrahydro-2(1H)-pyrazinone

IUPAC name

3-(1H-indol-3-yl)-3-(trifluoromethyl)piperazin-2-one

SMILES

O=C1NCCNC1(C(F)(F)F)c1c[nH]c2c1cccc2

InChI

InChI=1S/C13H12F3N3O/c14-13(15,16)12(11(20)17-5-6-19-12)9-7-18-10-4-2-1-3-8(9)10/h1-4,7,18-19H,5-6H2,(H,17,20)/t12-/m0/s1

InChI Key

QCQQBGUXFXOGHH-LBPRGKRZSA-N

MDL Number (MFCD)

MFCD03766288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

283.25

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.933

Distribution Coefficient, logD

1.932

Water Solubility, LogSw

-2.61

Polar Surface Area

47.672

Acid Dissociation Constant (pKa)

14.80

Base Dissociation Constant (pKb)

4.79

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.77

8013-3741 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Dark Chemical Matter Library (18430 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
Targets:
  • Others
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8013-3741 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-3741?
Check Price and Availability of 8013-3741, 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 8013-3741 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-3741
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-3741
  • 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 8013-3741 available by request