SB30-0698 Screening compound: 3-benzyl-1-[1-(methylsulfonyl)-4-piperidyl]-8-oxa-1,3-diazaspiro[4.5]decan-2-one

SB30-0698 Screening compound: 3-benzyl-1-[1-(methylsulfonyl)-4-piperidyl]-8-oxa-1,3-diazaspiro[4.5]decan-2-one
SB30-0698 Screening compound: 3-benzyl-1-[1-(methylsulfonyl)-4-piperidyl]-8-oxa-1,3-diazaspiro[4.5]decan-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB30-0698
3-benzyl-1-[1-(methylsulfonyl)-4-piperidyl]-8-oxa-1,3-diazaspiro[4.5]decan-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

SB30-0698

Molecular Formula

C20H29N3O4S (C20 H29 N3 O4 S)

Compound Name

3-benzyl-1-[1-(methylsulfonyl)-4-piperidyl]-8-oxa-1,3-diazaspiro[4.5]decan-2-one

IUPAC name

3-benzyl-1-(1-methanesulfonylpiperidin-4-yl)-8-oxa-13-diazaspiro[4.5]decan-2-one

SMILES

CS(N(CC1)CCC1N(C1(CN2Cc3ccccc3)CCOCC1)C2=O)(=O)=O

InChI

InChI=1S/C20H29N3O4S/c1-28(25,26)22-11-7-18(8-12-22)23-19(24)21(15-17-5-3-2-4-6-17)16-20(23)9-13-27-14-10-20/h2-6,18H,7-16H2,1H3

InChI Key

SMXCRZMXFOFYNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32246952

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.53

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.987

Distribution Coefficient, logD

1.987

Water Solubility, LogSw

-2.25

Polar Surface Area

58.176

Acid Dissociation Constant (pKa)

24.48

Base Dissociation Constant (pKb)

-0.58

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

65.00

SB30-0698 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB30-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB30-0698?
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What is the minimum amount of SB30-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB30-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB30-0698
  • 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 SB30-0698 available by request