F288-0032 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

F288-0032 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide
F288-0032 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F288-0032
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

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

F288-0032

Molecular Formula

C28H34N4O3S (C28 H34 N4 O3 S)

Compound Name

2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(2,3-dihydro-1,4-benzodioxin-6-yl)acetamide

IUPAC name

2-{[3-(4-tert-butylphenyl)-8-methyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-(23-dihydro-14-benzodioxin-6-yl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1C1=NC2(CCN(C)CC2)N=C1SCC(Nc(cc1)cc2c1OCCO2)=O

InChI

InChI=1S/C28H34N4O3S/c1-27(2,3)20-7-5-19(6-8-20)25-26(31-28(30-25)11-13-32(4)14-12-28)36-18-24(33)29-21-9-10-22-23(17-21)35-16-15-34-22/h5-10,17H,11-16,18H2,1-4H3,(H,29,33)

InChI Key

ILNPEZYDKJXNNI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111870

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

506.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.578

Distribution Coefficient, logD

1.090

Water Solubility, LogSw

-3.76

Polar Surface Area

59.530

Acid Dissociation Constant (pKa)

11.56

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

F288-0032 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F288-0032 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0032?
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What is the minimum amount of F288-0032 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0032
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0032
  • 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 F288-0032 available by request