SB57-1094 Screening compound: 5-{6-benzyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,6-diazaspiro[3.4]oct-8-yl}-3-methyl-1,2,4-oxadiazole

SB57-1094 Screening compound: 5-{6-benzyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,6-diazaspiro[3.4]oct-8-yl}-3-methyl-1,2,4-oxadiazole
SB57-1094 Screening compound: 5-{6-benzyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,6-diazaspiro[3.4]oct-8-yl}-3-methyl-1,2,4-oxadiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-1094
5-{6-benzyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,6-diazaspiro[3.4]oct-8-yl}-3-methyl-1,2,4-oxadiazole

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

SB57-1094

Molecular Formula

C21H25N5O4S (C21 H25 N5 O4 S)

Compound Name

5-{6-benzyl-2-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-2,6-diazaspiro[3.4]oct-8-yl}-3-methyl-1,2,4-oxadiazole

IUPAC name

6-benzyl-2-[(35-dimethyl-12-oxazol-4-yl)sulfonyl]-8-(3-methyl-124-oxadiazol-5-yl)-26-diazaspiro[3.4]octane

SMILES

Cc1noc(C)c1S(N(C1)CC1(CN(Cc1ccccc1)C1)C1c1nc(C)no1)(=O)=O

InChI

InChI=1S/C21H25N5O4S/c1-14-19(15(2)29-23-14)31(27,28)26-12-21(13-26)11-25(9-17-7-5-4-6-8-17)10-18(21)20-22-16(3)24-30-20/h4-8,18H,9-13H2,1-3H3/t18-/m1/s1

InChI Key

FDVOZLRYZMQVRK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD32248814

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.53

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.639

Distribution Coefficient, logD

-1.405

Water Solubility, LogSw

-2.24

Polar Surface Area

89.170

Acid Dissociation Constant (pKa)

26.61

Base Dissociation Constant (pKb)

10.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

47.62

SB57-1094 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB57-1094 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-1094?
Check Price and Availability of SB57-1094, 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 SB57-1094 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-1094
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-1094
  • 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 SB57-1094 available by request