SB57-0042 Screening compound: 1-[2-[(2,6-dimethoxy-3-pyridyl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

SB57-0042 Screening compound: 1-[2-[(2,6-dimethoxy-3-pyridyl)carbonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone
SB57-0042 Screening compound: 1-[2-[(2,6-dimethoxy-3-pyridyl)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 SB57-0042
1-[2-[(2,6-dimethoxy-3-pyridyl)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

SB57-0042

Molecular Formula

C19H23N5O5 (C19 H23 N5 O5)

Compound Name

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

IUPAC name

1-[2-(26-dimethoxypyridine-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(c(ccc(OC)n2)c2OC)=O)C1c1nc(C)no1)=O

InChI

InChI=1S/C19H23N5O5/c1-11-20-17(29-22-11)14-7-23(12(2)25)8-19(14)9-24(10-19)18(26)13-5-6-15(27-3)21-16(13)28-4/h5-6,14H,7-10H2,1-4H3/t14-/m1/s1

InChI Key

MJVKJBYQIKVYJK-CQSZACIVSA-N

MDL Number (MFCD)

MFCD32249075

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.42

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

1.133

Distribution Coefficient, logD

1.133

Water Solubility, LogSw

-2.37

Polar Surface Area

90.085

Acid Dissociation Constant (pKa)

24.36

Base Dissociation Constant (pKb)

0.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.63

References: we are preparing a list of scientific research reports with SB57-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-0042?
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What is the minimum amount of SB57-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-0042
  • 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 SB57-0042 available by request