SC55-0522 Screening compound: 2-{[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]methyl}-5-methoxyphenyl methyl ether

SC55-0522 Screening compound: 2-{[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]methyl}-5-methoxyphenyl methyl ether
SC55-0522 Screening compound: 2-{[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]methyl}-5-methoxyphenyl methyl ether alternative view

Chemical Structure Depiction of ChemDiv screening compound SC55-0522
2-{[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]methyl}-5-methoxyphenyl methyl ether

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

SC55-0522

Molecular Formula

C27H35N5O2 (C27 H35 N5 O2)

Compound Name

2-{[6-benzyl-8-(3-isopropyl-1H-1,2,4-triazol-5-yl)-2,6-diazaspiro[3.4]oct-2-yl]methyl}-5-methoxyphenyl methyl ether

IUPAC name

6-benzyl-2-[(24-dimethoxyphenyl)methyl]-8-[3-(propan-2-yl)-1H-124-triazol-5-yl]-26-diazaspiro[3.4]octane

SMILES

CC(C)c1n[nH]c(C2C3(CN(Cc(ccc(OC)c4)c4OC)C3)CN(Cc3ccccc3)C2)n1

InChI

InChI=1S/C27H35N5O2/c1-19(2)25-28-26(30-29-25)23-15-31(13-20-8-6-5-7-9-20)16-27(23)17-32(18-27)14-21-10-11-22(33-3)12-24(21)34-4/h5-12,19,23H,13-18H2,1-4H3,(H,28,29,30)/t23-/m1/s1

InChI Key

CORSEBPDYDMGFN-HSZRJFAPSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

461.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.995

Distribution Coefficient, logD

0.414

Water Solubility, LogSw

-4.20

Polar Surface Area

56.822

Acid Dissociation Constant (pKa)

8.22

Base Dissociation Constant (pKb)

10.48

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

48.15

SC55-0522 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 SC55-0522 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC55-0522?
Check Price and Availability of SC55-0522, 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 SC55-0522 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC55-0522
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC55-0522
  • 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 SC55-0522 available by request