Y010-1178 Screening compound: 8-bromo-3,3'-dimethyl-1'-phenyl-1,1',2,3,4,4a,5',6-octahydrospiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-5'-one

Y010-1178 Screening compound: 8-bromo-3,3'-dimethyl-1'-phenyl-1,1',2,3,4,4a,5',6-octahydrospiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-5'-one
Y010-1178 Screening compound: 8-bromo-3,3'-dimethyl-1'-phenyl-1,1',2,3,4,4a,5',6-octahydrospiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-5'-one alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1178
8-bromo-3,3'-dimethyl-1'-phenyl-1,1',2,3,4,4a,5',6-octahydrospiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-5'-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

Y010-1178

Molecular Formula

C22H23BrN4O (C22 H23 BrN4 O)

Compound Name

8-bromo-3,3'-dimethyl-1'-phenyl-1,1',2,3,4,4a,5',6-octahydrospiro[pyrazino[1,2-a]quinoline-5,4'-pyrazol]-5'-one

IUPAC name

8-bromo-33'-dimethyl-1'-phenyl-11'2344a5'6-octahydrospiro[pyrazino[12-a]quinoline-54'-pyrazol]-5'-one

SMILES

CC(C(C1)(C(CN(C)CC2)N2c(cc2)c1cc2Br)C1=O)=NN1c1ccccc1

InChI

InChI=1S/C22H23BrN4O/c1-15-22(21(28)27(24-15)18-6-4-3-5-7-18)13-16-12-17(23)8-9-19(16)26-11-10-25(2)14-20(22)26/h3-9,12,20H,10-11,13-14H2,1-2H3

InChI Key

BFOGSGSBDUJOMY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09992077

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.35

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.893

Distribution Coefficient, logD

2.982

Water Solubility, LogSw

-3.96

Polar Surface Area

31.368

Acid Dissociation Constant (pKa)

22.89

Base Dissociation Constant (pKb)

8.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

36.40

Y010-1178 in Drug Discovery

Included in Screening Libraries

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-1178 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1178?
Check Price and Availability of Y010-1178, 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 Y010-1178 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1178
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1178
  • 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 Y010-1178 available by request