SB59-0467 Screening compound: 1-[2-[2-(benzyloxy)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone

SB59-0467 Screening compound: 1-[2-[2-(benzyloxy)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone
SB59-0467 Screening compound: 1-[2-[2-(benzyloxy)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB59-0467
1-[2-[2-(benzyloxy)acetyl]-8-(4-methyl-4H-1,2,4-triazol-3-yl)-2,6-diazaspiro[3.4]oct-6-yl]-2-methyl-1-propanone

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

SB59-0467

Molecular Formula

C22H29N5O3 (C22 H29 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(C1)CC(C2)(CN2C(COCc2ccccc2)=O)C1c1nncn1C)=O

InChI

InChI=1S/C22H29N5O3/c1-16(2)21(29)26-9-18(20-24-23-15-25(20)3)22(12-26)13-27(14-22)19(28)11-30-10-17-7-5-4-6-8-17/h4-8,15-16,18H,9-14H2,1-3H3/t18-/m0/s1

InChI Key

MCSBGQDOVWFTCG-SFHVURJKSA-N

MDL Number (MFCD)

MFCD32248832

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.5

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.632

Distribution Coefficient, logD

0.632

Water Solubility, LogSw

-1.28

Polar Surface Area

66.785

Acid Dissociation Constant (pKa)

19.84

Base Dissociation Constant (pKb)

7.28

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

54.54

SB59-0467 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 SB59-0467 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB59-0467?
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What is the minimum amount of SB59-0467 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB59-0467
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB59-0467
  • 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 SB59-0467 available by request