S525-0739 Screening compound: 3-(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)-2-[(2,5-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one

S525-0739 Screening compound: 3-(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)-2-[(2,5-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one
S525-0739 Screening compound: 3-(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)-2-[(2,5-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound S525-0739
3-(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)-2-[(2,5-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one

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

S525-0739

Molecular Formula

C20H25F2N5O2 (C20 H25 F2 N5 O2)

Compound Name

3-(1-tert-butyl-1H-1,2,3,4-tetrazol-5-yl)-2-[(2,5-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one

IUPAC name

3-(1-tert-butyl-1H-1234-tetrazol-5-yl)-2-[(25-difluorophenyl)methyl]-8-oxa-2-azaspiro[4.5]decan-1-one

SMILES

CC(C)(C)n1nnnc1C(CC12CCOCC2)N(Cc(cc(cc2)F)c2F)C1=O

InChI

InChI=1S/C20H25F2N5O2/c1-19(2,3)27-17(23-24-25-27)16-11-20(6-8-29-9-7-20)18(28)26(16)12-13-10-14(21)4-5-15(13)22/h4-5,10,16H,6-9,11-12H2,1-3H3/t16-/m0/s1

InChI Key

HZDSSVBOEOXNCD-INIZCTEOSA-N

MDL Number (MFCD)

MFCD29008375

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

405.45

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.903

Distribution Coefficient, logD

2.903

Water Solubility, LogSw

-3.06

Polar Surface Area

64.601

Acid Dissociation Constant (pKa)

17.68

Base Dissociation Constant (pKb)

-0.54

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

60.00

S525-0739 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Anti-HIV1 Library (19540 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

New Agro Library (44492 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Antiviral
  • Infections
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S525-0739 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S525-0739?
Check Price and Availability of S525-0739, 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 S525-0739 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S525-0739
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S525-0739
  • 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 S525-0739 available by request