Y010-1112 Screening compound: 9'-chloro-1,5-dimethyl-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione

Y010-1112 Screening compound: 9'-chloro-1,5-dimethyl-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione
Y010-1112 Screening compound: 9'-chloro-1,5-dimethyl-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1112
9'-chloro-1,5-dimethyl-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione

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

Y010-1112

Molecular Formula

C24H24ClN3O3 (C24 H24 ClN3 O3)

Compound Name

9'-chloro-1,5-dimethyl-3'-phenyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione

IUPAC name

9'-chloro-15-dimethyl-3'-phenyl-1'2'3'4'4'a6'-hexahydrospiro[15-diazinane-35'-pyrido[12-a]quinoline]-246-trione

SMILES

CN(C(C(C1)(C(CC(CC2)c3ccccc3)N2c2c1ccc(Cl)c2)C(N1C)=O)=O)C1=O

InChI

InChI=1S/C24H24ClN3O3/c1-26-21(29)24(22(30)27(2)23(26)31)14-17-8-9-18(25)13-19(17)28-11-10-16(12-20(24)28)15-6-4-3-5-7-15/h3-9,13,16,20H,10-12,14H2,1-2H3

InChI Key

TYEXNKPJGRQRIV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07773853

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.93

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.048

Distribution Coefficient, logD

5.048

Water Solubility, LogSw

-5.23

Polar Surface Area

47.225

Acid Dissociation Constant (pKa)

21.12

Base Dissociation Constant (pKb)

3.94

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

Y010-1112 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

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

Macl-GPIb alpha Interaction Library (22969 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Hemic and lymphatic
  • Cardiovascular
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-1112 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1112?
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What is the minimum amount of Y010-1112 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1112
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1112
  • 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 Y010-1112 available by request