Y010-1101 Screening compound: 9'-bromo-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

Y010-1101 Screening compound: 9'-bromo-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione
Y010-1101 Screening compound: 9'-bromo-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1101
9'-bromo-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

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

Y010-1101

Molecular Formula

C24H24BrNO2 (C24 H24 BrNO2)

Compound Name

9'-bromo-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

IUPAC name

9'-bromo-3'-phenyl-1'2'3'4'4'a6'-hexahydrospiro[cyclohexane-15'-pyrido[12-a]quinoline]-26-dione

SMILES

O=C(CCC1)C(C2)(C(CC(CC3)c4ccccc4)N3c3c2ccc(Br)c3)C1=O

InChI

InChI=1S/C24H24BrNO2/c25-19-10-9-18-15-24(22(27)7-4-8-23(24)28)21-13-17(16-5-2-1-3-6-16)11-12-26(21)20(18)14-19/h1-3,5-6,9-10,14,17,21H,4,7-8,11-13,15H2

InChI Key

XIEPITOOPZYXGG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773866

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.36

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.690

Distribution Coefficient, logD

5.690

Water Solubility, LogSw

-5.77

Polar Surface Area

28.754

Acid Dissociation Constant (pKa)

19.79

Base Dissociation Constant (pKb)

1.60

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

41.70

Y010-1101 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

GPCR Targeted Library (31838 compounds)

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-1101 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1101?
Check Price and Availability of Y010-1101, 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 Y010-1101 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1101
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1101
  • 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 Y010-1101 available by request