8007-1038 Screening compound: 2-(butylsulfinyl)cyclohexyl 3-piperidinopropanoate

8007-1038 Screening compound: 2-(butylsulfinyl)cyclohexyl 3-piperidinopropanoate
8007-1038 Screening compound: 2-(butylsulfinyl)cyclohexyl 3-piperidinopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-1038
2-(butylsulfinyl)cyclohexyl 3-piperidinopropanoate

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

8007-1038

Molecular Formula

C18H33NO3S (C18 H33 NO3 S)

Compound Name

2-(butylsulfinyl)cyclohexyl 3-piperidinopropanoate

IUPAC name

2-(butane-1-sulfinyl)cyclohexyl 3-(piperidin-1-yl)propanoate

SMILES

CCCCS(C(CCCC1)C1OC(CCN1CCCCC1)=O)=O

InChI

InChI=1S/C18H35NO3S/c1-2-3-15-23(21)17-10-6-5-9-16(17)22-18(20)11-14-19-12-7-4-8-13-19/h16-17H,2-15,23H2,1H3

InChI Key

WWMIBLKYMBMRBT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00828387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.801

Distribution Coefficient, logD

2.374

Water Solubility, LogSw

-3.57

Polar Surface Area

39.065

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

8.81

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

94.44

8007-1038 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 8007-1038 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-1038?
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What is the minimum amount of 8007-1038 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-1038
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-1038
  • 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 8007-1038 available by request