SB52-0147 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone

SB52-0147 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone
SB52-0147 Screening compound: 3,5-dimethyl-4-isoxazolyl [3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB52-0147
3,5-dimethyl-4-isoxazolyl [3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone

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

SB52-0147

Molecular Formula

C19H29N5O4S (C19 H29 N5 O4 S)

Compound Name

3,5-dimethyl-4-isoxazolyl [3-(5-isopropyl-1,2,4-oxadiazol-3-yl)-2-methyl-2,8-diazaspiro[4.5]dec-8-yl] sulfone

IUPAC name

8-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-2-methyl-3-[5-(propan-2-yl)-124-oxadiazol-3-yl]-28-diazaspiro[4.5]decane

SMILES

CC(C)c1nc(C(C2)N(C)CC2(CC2)CCN2S(c2c(C)onc2C)(=O)=O)no1

InChI

InChI=1S/C19H29N5O4S/c1-12(2)18-20-17(22-28-18)15-10-19(11-23(15)5)6-8-24(9-7-19)29(25,26)16-13(3)21-27-14(16)4/h12,15H,6-11H2,1-5H3/t15-/m1/s1

InChI Key

CZOFQARSWDYDTL-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32248290

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

423.54

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.017

Distribution Coefficient, logD

1.875

Water Solubility, LogSw

-2.07

Polar Surface Area

89.272

Acid Dissociation Constant (pKa)

25.98

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

73.68

SB52-0147 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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 SB52-0147 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB52-0147?
Check Price and Availability of SB52-0147, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB52-0147 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB52-0147
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB52-0147
  • 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 SB52-0147 available by request