8018-1169 Screening compound: ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate

8018-1169 Screening compound: ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate
8018-1169 Screening compound: ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1169
ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate

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

8018-1169

Molecular Formula

C17H19N3O5 (C17 H19 N3 O5)

Compound Name

ethyl 5-nitro-2-oxo-1,1',2,2',5',6',7',7a'-octahydrospiro[indole-3,3'-pyrrolizine]-1'-carboxylate

IUPAC name

ethyl 5-nitro-2-oxo-11'22'5'6'7'7'a-octahydrospiro[indole-33'-pyrrolizine]-1'-carboxylate

SMILES

CCOC(C(C1)C(CCC2)N2C1(c(cc(cc1)[N+]([O-])=O)c1N1)C1=O)=O

InChI

InChI=1S/C17H19N3O5/c1-2-25-15(21)11-9-17(19-7-3-4-14(11)19)12-8-10(20(23)24)5-6-13(12)18-16(17)22/h5-6,8,11,14H,2-4,7,9H2,1H3,(H,18,22)

InChI Key

NHOQVTSGODSKOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07022712

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

345.36

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.202

Distribution Coefficient, logD

2.124

Water Solubility, LogSw

-3.05

Polar Surface Area

82.912

Acid Dissociation Constant (pKa)

8.10

Base Dissociation Constant (pKb)

2.50

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

52.94

8018-1169 in Drug Discovery

Included in Screening Libraries

Integrin Receptors Targeted library (1715 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Immune system
Targets:
  • Others

References: we are preparing a list of scientific research reports with 8018-1169 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1169?
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What is the minimum amount of 8018-1169 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1169
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1169
  • 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 8018-1169 available by request