6047-0083 Screening compound: 6-methyl-3-[(E)-4-methyl-2-oxopentylidene]tetrahydro-2(1H)-pyrazinone

6047-0083 Screening compound: 6-methyl-3-[(E)-4-methyl-2-oxopentylidene]tetrahydro-2(1H)-pyrazinone
6047-0083 Screening compound: 6-methyl-3-[(E)-4-methyl-2-oxopentylidene]tetrahydro-2(1H)-pyrazinone alternative view

Chemical Structure Depiction of ChemDiv screening compound 6047-0083
6-methyl-3-[(E)-4-methyl-2-oxopentylidene]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

6047-0083

Molecular Formula

C11H18N2O2 (C11 H18 N2 O2)

Compound Name

6-methyl-3-[(E)-4-methyl-2-oxopentylidene]tetrahydro-2(1H)-pyrazinone

IUPAC name

(3E)-6-methyl-3-(4-methyl-2-oxopentylidene)piperazin-2-one

SMILES

CC(C)CC(/C=C1/NCC(C)NC1=O)=O

InChI

InChI=1S/C11H18N2O2/c1-7(2)4-9(14)5-10-11(15)13-8(3)6-12-10/h5,7-8,12H,4,6H2,1-3H3,(H,13,15)/t8-/m0/s1

InChI Key

BDVPJBAGLRTNHF-QMMMGPOBSA-N

MDL Number (MFCD)

MFCD03779026

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

210.28

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

0.867

Distribution Coefficient, logD

0.836

Water Solubility, LogSw

-1.24

Polar Surface Area

49.509

Acid Dissociation Constant (pKa)

10.92

Base Dissociation Constant (pKb)

6.26

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

63.64

6047-0083 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6047-0083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6047-0083?
Check Price and Availability of 6047-0083, 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 6047-0083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6047-0083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6047-0083
  • 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 6047-0083 available by request