8017-3852 Screening compound: 3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

8017-3852 Screening compound: 3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
8017-3852 Screening compound: 3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-3852
3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-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

8017-3852

Molecular Formula

C29H26ClN5O6 (C29 H26 ClN5 O6)

Compound Name

3-(2-chlorobenzyl)-1'-(4-methoxyphenyl)-8-nitro-2,3,4,4a-tetrahydro-1H,2'H,6H-spiro[pyrazino[1,2-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione

IUPAC name

3'-[(2-chlorophenyl)methyl]-5-(4-methoxyphenyl)-8'-nitro-1'2'3'4'4'a6'-hexahydrospiro[15-diazinane-35'-pyrazino[12-a]quinoline]-246-trione

SMILES

COc(cc1)ccc1N(C(C(C1)(C(CN(Cc(cccc2)c2Cl)CC2)N2c(cc2)c1cc2[N+]([O-])=O)C(N1)=O)=O)C1=O

InChI

InChI=1S/C29H26ClN5O6/c1-41-22-9-6-20(7-10-22)34-27(37)29(26(36)31-28(34)38)15-19-14-21(35(39)40)8-11-24(19)33-13-12-32(17-25(29)33)16-18-4-2-3-5-23(18)30/h2-11,14,25H,12-13,15-17H2,1H3,(H,31,36,38)

InChI Key

QDMPLIBLICXHAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06016396

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

576.01

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.070

Distribution Coefficient, logD

3.038

Water Solubility, LogSw

-4.40

Polar Surface Area

100.161

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

7.41

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

27.59

References: we are preparing a list of scientific research reports with 8017-3852 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-3852?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-3852
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-3852
  • 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 8017-3852 available by request