T413-0977 Screening compound: 1-cyclohexyl-4-(2-methoxybenzyl)-3-(3-pyridyl)tetrahydro-2,5-pyrazinedione

T413-0977 Screening compound: 1-cyclohexyl-4-(2-methoxybenzyl)-3-(3-pyridyl)tetrahydro-2,5-pyrazinedione
T413-0977 Screening compound: 1-cyclohexyl-4-(2-methoxybenzyl)-3-(3-pyridyl)tetrahydro-2,5-pyrazinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound T413-0977
1-cyclohexyl-4-(2-methoxybenzyl)-3-(3-pyridyl)tetrahydro-2,5-pyrazinedione

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

T413-0977

Molecular Formula

C23H27N3O3 (C23 H27 N3 O3)

Compound Name

1-cyclohexyl-4-(2-methoxybenzyl)-3-(3-pyridyl)tetrahydro-2,5-pyrazinedione

IUPAC name

n/a

SMILES

COc1c(CN(C(c2cnccc2)C(N(C2)C3CCCCC3)=O)C2=O)cccc1

InChI

InChI=1S/C23H27N3O3/c1-29-20-12-6-5-8-18(20)15-26-21(27)16-25(19-10-3-2-4-11-19)23(28)22(26)17-9-7-13-24-14-17/h5-9,12-14,19,22H,2-4,10-11,15-16H2,1H3/t22-/m0/s1

InChI Key

IIFHSUOCQMPCCD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD27620551

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.49

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.081

Distribution Coefficient, logD

3.081

Water Solubility, LogSw

-2.89

Polar Surface Area

49.096

Acid Dissociation Constant (pKa)

16.97

Base Dissociation Constant (pKb)

3.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

43.50

T413-0977 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Nonpeptide Peptidomimetics PPI Library (18997 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with T413-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T413-0977?
Check Price and Availability of T413-0977, 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 T413-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T413-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T413-0977
  • 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 T413-0977 available by request