SB57-0072 Screening compound: 1-[2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

SB57-0072 Screening compound: 1-[2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone
SB57-0072 Screening compound: 1-[2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-0072
1-[2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

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

SB57-0072

Molecular Formula

C17H22N6O3 (C17 H22 N6 O3)

Compound Name

1-[2-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

IUPAC name

1-[2-(15-dimethyl-1H-pyrazole-3-carbonyl)-8-(3-methyl-124-oxadiazol-5-yl)-26-diazaspiro[3.4]octan-6-yl]ethan-1-one

SMILES

CC(N(C1)CC(C2)(CN2C(c2nn(C)c(C)c2)=O)C1c1nc(C)no1)=O

InChI

InChI=1S/C17H22N6O3/c1-10-5-14(19-21(10)4)16(25)23-8-17(9-23)7-22(12(3)24)6-13(17)15-18-11(2)20-26-15/h5,13H,6-9H2,1-4H3/t13-/m1/s1

InChI Key

WIOHGSSMTVKOIA-CYBMUJFWSA-N

MDL Number (MFCD)

MFCD32248499

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.334

Distribution Coefficient, logD

-0.334

Water Solubility, LogSw

-0.58

Polar Surface Area

80.210

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

9.66

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

58.82

SB57-0072 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 SB57-0072 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-0072?
Check Price and Availability of SB57-0072, 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 SB57-0072 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-0072
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-0072
  • 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 SB57-0072 available by request