8018-2117 Screening compound: 5'-(4-methoxyphenyl)-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,3'-[1,5]diazinane]-2',4',6'-trione

8018-2117 Screening compound: 5'-(4-methoxyphenyl)-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,3'-[1,5]diazinane]-2',4',6'-trione
8018-2117 Screening compound: 5'-(4-methoxyphenyl)-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,3'-[1,5]diazinane]-2',4',6'-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2117
5'-(4-methoxyphenyl)-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,3'-[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

8018-2117

Molecular Formula

C24H24N4O6 (C24 H24 N4 O6)

Compound Name

5'-(4-methoxyphenyl)-3-nitro-6a,7,8,9,10,11-hexahydro-5H-spiro[azepino[1,2-a]quinoline-6,3'-[1,5]diazinane]-2',4',6'-trione

IUPAC name

5'-(4-methoxyphenyl)-3-nitro-6a7891011-hexahydro-5H-spiro[azepino[12-a]quinoline-63'-[15]diazinane]-2'4'6'-trione

SMILES

COc(cc1)ccc1N(C(C(C1)(C(CCCCC2)N2c(cc2)c1cc2[N+]([O-])=O)C(N1)=O)=O)C1=O

InChI

InChI=1S/C24H24N4O6/c1-34-18-9-6-16(7-10-18)27-22(30)24(21(29)25-23(27)31)14-15-13-17(28(32)33)8-11-19(15)26-12-4-2-3-5-20(24)26/h6-11,13,20H,2-5,12,14H2,1H3,(H,25,29,31)

InChI Key

OYXOJEHXLWFDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657322

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

3.378

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.76

Polar Surface Area

97.018

Acid Dissociation Constant (pKa)

7.80

Base Dissociation Constant (pKb)

1.93

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

37.50

References: we are preparing a list of scientific research reports with 8018-2117 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2117?
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What is the minimum amount of 8018-2117 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2117
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2117
  • 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 8018-2117 available by request