8018-1083 Screening compound: 4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one

8018-1083 Screening compound: 4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one
8018-1083 Screening compound: 4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-1083
4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-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

8018-1083

Molecular Formula

C22H33NO2 (C22 H33 NO2)

Compound Name

4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one

IUPAC name

4-{[1-(adamantan-1-yl)propyl]amino}-1-oxaspiro[4.5]dec-3-en-2-one

SMILES

CCC(C1(CC(C2)C3)CC3CC2C1)NC(C1(CCCCC1)O1)=CC1=O

InChI

InChI=1S/C22H33NO2/c1-2-18(21-12-15-8-16(13-21)10-17(9-15)14-21)23-19-11-20(24)25-22(19)6-4-3-5-7-22/h11,15-18,23H,2-10,12-14H2,1H3/t15?,16?,17?,18-,21?/m0/s1

InChI Key

SWXJXPQCUJPXRU-QQABJKMWSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.51

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

5.139

Distribution Coefficient, logD

5.139

Water Solubility, LogSw

-4.95

Polar Surface Area

31.411

Acid Dissociation Constant (pKa)

11.94

Base Dissociation Constant (pKb)

2.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

86.40

8018-1083 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-1083 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-1083?
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What is the minimum amount of 8018-1083 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-1083
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-1083
  • 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 8018-1083 available by request