8019-7571 Screening compound: 2',2',6',6',11b-pentamethyl-5,6,11,11b-tetrahydrospiro[1,3-oxazolo[3',4':1,2]pyrido[3,4-b]indole-1,4'-piperidin]-3-one

8019-7571 Screening compound: 2',2',6',6',11b-pentamethyl-5,6,11,11b-tetrahydrospiro[1,3-oxazolo[3',4':1,2]pyrido[3,4-b]indole-1,4'-piperidin]-3-one
8019-7571 Screening compound: 2',2',6',6',11b-pentamethyl-5,6,11,11b-tetrahydrospiro[1,3-oxazolo[3',4':1,2]pyrido[3,4-b]indole-1,4'-piperidin]-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8019-7571
2',2',6',6',11b-pentamethyl-5,6,11,11b-tetrahydrospiro[1,3-oxazolo[3',4':1,2]pyrido[3,4-b]indole-1,4'-piperidin]-3-one

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

8019-7571

Molecular Formula

C22H29N3O2 (C22 H29 N3 O2)

Compound Name

2',2',6',6',11b-pentamethyl-5,6,11,11b-tetrahydrospiro[1,3-oxazolo[3',4':1,2]pyrido[3,4-b]indole-1,4'-piperidin]-3-one

IUPAC name

222'66-pentamethyl-4'-oxa-6'16'-diazaspiro[piperidine-43'-tetracyclo[7.7.0.0^{26}.0^{1015}]hexadecane]-1'(9')10'(15')11'13'-tetraen-5'-one

SMILES

CC(C1(CC(C)(C)NC(C)(C)C1)O1)(c2c(CC3)c(cccc4)c4[nH]2)N3C1=O

InChI

InChI=1S/C22H29N3O2/c1-19(2)12-22(13-20(3,4)24-19)21(5)17-15(10-11-25(21)18(26)27-22)14-8-6-7-9-16(14)23-17/h6-9,23-24H,10-13H2,1-5H3/t21-/m1/s1

InChI Key

LGIABOLBJXWIES-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD10039373

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.49

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.793

Distribution Coefficient, logD

0.417

Water Solubility, LogSw

-4.27

Polar Surface Area

44.375

Acid Dissociation Constant (pKa)

18.67

Base Dissociation Constant (pKb)

10.78

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

59.10

8019-7571 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral Library (67538 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8019-7571 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8019-7571?
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What is the minimum amount of 8019-7571 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8019-7571
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8019-7571
  • 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 8019-7571 available by request