Y010-1142 Screening compound: 9-chloro-1',2,4,5'-tetramethyl-2,4,4a,6-tetrahydro-1H-spiro[[1,4]oxazino[4,3-a]quinoline-5,3'-[1,5]diazinane]-2',4',6'-trione

Y010-1142 Screening compound: 9-chloro-1',2,4,5'-tetramethyl-2,4,4a,6-tetrahydro-1H-spiro[[1,4]oxazino[4,3-a]quinoline-5,3'-[1,5]diazinane]-2',4',6'-trione
Y010-1142 Screening compound: 9-chloro-1',2,4,5'-tetramethyl-2,4,4a,6-tetrahydro-1H-spiro[[1,4]oxazino[4,3-a]quinoline-5,3'-[1,5]diazinane]-2',4',6'-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1142
9-chloro-1',2,4,5'-tetramethyl-2,4,4a,6-tetrahydro-1H-spiro[[1,4]oxazino[4,3-a]quinoline-5,3'-[1,5]diazinane]-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

Y010-1142

Molecular Formula

C19H22ClN3O4 (C19 H22 ClN3 O4)

Compound Name

9-chloro-1',2,4,5'-tetramethyl-2,4,4a,6-tetrahydro-1H-spiro[[1,4]oxazino[4,3-a]quinoline-5,3'-[1,5]diazinane]-2',4',6'-trione

IUPAC name

9-chloro-1'245'-tetramethyl-244a6-tetrahydro-1H-spiro[[14]oxazino[43-a]quinoline-53'-[15]diazinane]-2'4'6'-trione

SMILES

CC(C1)OC(C)C(C(C2)(C(N(C)C(N3C)=O)=O)C3=O)N1c1c2ccc(Cl)c1

InChI

InChI=1S/C19H22ClN3O4/c1-10-9-23-14-7-13(20)6-5-12(14)8-19(15(23)11(2)27-10)16(24)21(3)18(26)22(4)17(19)25/h5-7,10-11,15H,8-9H2,1-4H3

InChI Key

BJIVRXVQKYQZNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08060254

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.85

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.927

Distribution Coefficient, logD

2.927

Water Solubility, LogSw

-3.35

Polar Surface Area

54.935

Acid Dissociation Constant (pKa)

23.66

Base Dissociation Constant (pKb)

1.66

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.63

Y010-1142 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1142 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of Y010-1142 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1142
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1142
  • 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 Y010-1142 available by request