Y010-1136 Screening compound: 3'-benzyl-9'-chloro-4,4-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

Y010-1136 Screening compound: 3'-benzyl-9'-chloro-4,4-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione
Y010-1136 Screening compound: 3'-benzyl-9'-chloro-4,4-dimethyl-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 Y010-1136
3'-benzyl-9'-chloro-4,4-dimethyl-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

Y010-1136

Molecular Formula

C27H30ClNO2 (C27 H30 ClNO2)

Compound Name

3'-benzyl-9'-chloro-4,4-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[cyclohexane-1,5'-pyrido[1,2-a]quinoline]-2,6-dione

IUPAC name

3'-benzyl-9'-chloro-44-dimethyl-1'2'3'4'4'a6'-hexahydrospiro[cyclohexane-15'-pyrido[12-a]quinoline]-26-dione

SMILES

CC(C)(CC(C1(C2)C(CC(Cc3ccccc3)CC3)N3c3c2ccc(Cl)c3)=O)CC1=O

InChI

InChI=1S/C27H30ClNO2/c1-26(2)16-24(30)27(25(31)17-26)15-20-8-9-21(28)14-22(20)29-11-10-19(13-23(27)29)12-18-6-4-3-5-7-18/h3-9,14,19,23H,10-13,15-17H2,1-2H3

InChI Key

WGENJQBZVYXURO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08060237

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.99

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.448

Distribution Coefficient, logD

6.448

Water Solubility, LogSw

-6.19

Polar Surface Area

28.754

Acid Dissociation Constant (pKa)

22.81

Base Dissociation Constant (pKb)

5.10

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.10

References: we are preparing a list of scientific research reports with Y010-1136 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1136?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1136
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1136
  • 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 Y010-1136 available by request