SB57-1309 Screening compound: 1-[2-[(3,5-difluorophenyl)sulfonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methoxy-1-ethanone

SB57-1309 Screening compound: 1-[2-[(3,5-difluorophenyl)sulfonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methoxy-1-ethanone
SB57-1309 Screening compound: 1-[2-[(3,5-difluorophenyl)sulfonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB57-1309
1-[2-[(3,5-difluorophenyl)sulfonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methoxy-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

SB57-1309

Molecular Formula

C18H20F2N4O5S (C18 H20 F2 N4 O5 S)

Compound Name

1-[2-[(3,5-difluorophenyl)sulfonyl]-8-(3-methyl-1,2,4-oxadiazol-5-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methoxy-1-ethanone

IUPAC name

1-[2-(35-difluorobenzenesulfonyl)-8-(3-methyl-124-oxadiazol-5-yl)-26-diazaspiro[3.4]octan-6-yl]-2-methoxyethan-1-one

SMILES

Cc1noc(C(C2)C(C3)(CN3S(c3cc(F)cc(F)c3)(=O)=O)CN2C(COC)=O)n1

InChI

InChI=1S/C18H20F2N4O5S/c1-11-21-17(29-22-11)15-6-23(16(25)7-28-2)8-18(15)9-24(10-18)30(26,27)14-4-12(19)3-13(20)5-14/h3-5,15H,6-10H2,1-2H3/t15-/m1/s1

InChI Key

WMQRCLKHVMVKMO-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD32249090

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.44

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.824

Distribution Coefficient, logD

0.824

Water Solubility, LogSw

-1.83

Polar Surface Area

88.215

Acid Dissociation Constant (pKa)

22.14

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

50.00

SB57-1309 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 SB57-1309 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB57-1309?
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What is the minimum amount of SB57-1309 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB57-1309
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB57-1309
  • 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 SB57-1309 available by request