8016-1256 Screening compound: 1'-ethyl-3'-methyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione

8016-1256 Screening compound: 1'-ethyl-3'-methyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione
8016-1256 Screening compound: 1'-ethyl-3'-methyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-1256
1'-ethyl-3'-methyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-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

8016-1256

Molecular Formula

C19H22N4O4S (C19 H22 N4 O4 S)

Compound Name

1'-ethyl-3'-methyl-8-nitro-2'-thioxo-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrido[1,2-a]quinoline-5,5'-pyrimidine]-4',6'(1'H,3'H)-dione

IUPAC name

1-ethyl-5-methyl-8'-nitro-6-sulfanylidene-1'2'3'4'4'a6'-hexahydrospiro[15-diazinane-35'-pyrido[12-a]quinoline]-24-dione

SMILES

CCN(C(C(C1)(C(CCCC2)N2c(cc2)c1cc2[N+]([O-])=O)C(N1C)=O)=O)C1=S

InChI

InChI=1S/C19H22N4O4S/c1-3-21-17(25)19(16(24)20(2)18(21)28)11-12-10-13(23(26)27)7-8-14(12)22-9-5-4-6-15(19)22/h7-8,10,15H,3-6,9,11H2,1-2H3

InChI Key

BPKPJHLOCGKLCP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05260371

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.47

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.299

Distribution Coefficient, logD

2.299

Water Solubility, LogSw

-2.76

Polar Surface Area

67.530

Acid Dissociation Constant (pKa)

23.33

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

References: we are preparing a list of scientific research reports with 8016-1256 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-1256?
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What is the minimum amount of 8016-1256 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-1256
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-1256
  • 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 8016-1256 available by request