Y010-1181 Screening compound: 5-(2,5-dichlorophenyl)-2',4'-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione

Y010-1181 Screening compound: 5-(2,5-dichlorophenyl)-2',4'-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione
Y010-1181 Screening compound: 5-(2,5-dichlorophenyl)-2',4'-dimethyl-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 Y010-1181
5-(2,5-dichlorophenyl)-2',4'-dimethyl-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

Y010-1181

Molecular Formula

C24H23Cl2N3O3 (C24 H23 Cl2 N3 O3)

Compound Name

5-(2,5-dichlorophenyl)-2',4'-dimethyl-1',2',3',4',4'a,6'-hexahydrospiro[1,5-diazinane-3,5'-pyrido[1,2-a]quinoline]-2,4,6-trione

IUPAC name

5-(25-dichlorophenyl)-2'4'-dimethyl-1'2'3'4'4'a6'-hexahydrospiro[15-diazinane-35'-pyrido[12-a]quinoline]-246-trione

SMILES

CC(CC(C)C1C(C2)(C(NC(N3c(cc(cc4)Cl)c4Cl)=O)=O)C3=O)CN1c1c2cccc1

InChI

InChI=1S/C24H23Cl2N3O3/c1-13-9-14(2)20-24(11-15-5-3-4-6-18(15)28(20)12-13)21(30)27-23(32)29(22(24)31)19-10-16(25)7-8-17(19)26/h3-8,10,13-14,20H,9,11-12H2,1-2H3,(H,27,30,32)

InChI Key

SPJVHAQEQMRTBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD09992194

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

3.646

Water Solubility, LogSw

-5.43

Polar Surface Area

55.218

Acid Dissociation Constant (pKa)

5.97

Base Dissociation Constant (pKb)

4.31

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

37.50

Y010-1181 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with Y010-1181 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y010-1181 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1181
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1181
  • 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 Y010-1181 available by request