SB59-0520 Screening compound: 2-methoxy-1-[2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

SB59-0520 Screening compound: 2-methoxy-1-[2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone
SB59-0520 Screening compound: 2-methoxy-1-[2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0520
2-methoxy-1-[2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-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

SB59-0520

Molecular Formula

C21H27N5O4 (C21 H27 N5 O4)

Compound Name

2-methoxy-1-[2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-1-ethanone

IUPAC name

2-methoxy-1-{2-[2-(4-methoxyphenyl)acetyl]-8-(4-methyl-4H-124-triazol-3-yl)-26-diazaspiro[3.4]octan-6-yl}ethan-1-one

SMILES

Cn1c(C(C2)C(C3)(CN3C(Cc(cc3)ccc3OC)=O)CN2C(COC)=O)nnc1

InChI

InChI=1S/C21H27N5O4/c1-24-14-22-23-20(24)17-9-25(19(28)10-29-2)11-21(17)12-26(13-21)18(27)8-15-4-6-16(30-3)7-5-15/h4-7,14,17H,8-13H2,1-3H3/t17-/m0/s1

InChI Key

RHSIQYDHWIUFEA-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD32248906

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.370

Distribution Coefficient, logD

-0.370

Water Solubility, LogSw

-1.48

Polar Surface Area

73.791

Acid Dissociation Constant (pKa)

17.63

Base Dissociation Constant (pKb)

7.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.38

SB59-0520 in Drug Discovery

Included in Screening Libraries

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 SB59-0520 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0520?
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What is the minimum amount of SB59-0520 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0520
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0520
  • 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 SB59-0520 available by request