Y041-0384 Screening compound: 2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one

Y041-0384 Screening compound: 2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one
Y041-0384 Screening compound: 2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y041-0384
2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-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

Y041-0384

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

2-{2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-2,3,5,6,7,8-hexahydrocinnolin-3-one

IUPAC name

2-{2-[4-(24-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}-235678-hexahydrocinnolin-3-one

SMILES

Cc(cc1)cc(C)c1N(CC1)CCN1C(CN1N=C(CCCC2)C2=CC1=O)=O

InChI

InChI=1S/C22H28N4O2/c1-16-7-8-20(17(2)13-16)24-9-11-25(12-10-24)22(28)15-26-21(27)14-18-5-3-4-6-19(18)23-26/h7-8,13-14H,3-6,9-12,15H2,1-2H3

InChI Key

SEQDOFBNQZNHKV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD19709820

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.054

Distribution Coefficient, logD

3.054

Water Solubility, LogSw

-3.19

Polar Surface Area

47.585

Acid Dissociation Constant (pKa)

18.83

Base Dissociation Constant (pKb)

4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

Y041-0384 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y041-0384 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y041-0384?
Check Price and Availability of Y041-0384, 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 Y041-0384 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y041-0384
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y041-0384
  • 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 Y041-0384 available by request