F288-0042 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

F288-0042 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide
F288-0042 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F288-0042
2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)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

F288-0042

Molecular Formula

C29H38N4OS (C29 H38 N4 OS)

Compound Name

2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

IUPAC name

2-{[3-(4-tert-butylphenyl)-8-ethyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-(4-ethylphenyl)acetamide

SMILES

CCc(cc1)ccc1NC(CSC1=NC2(CCN(CC)CC2)N=C1c1ccc(C(C)(C)C)cc1)=O

InChI

InChI=1S/C29H38N4OS/c1-6-21-8-14-24(15-9-21)30-25(34)20-35-27-26(22-10-12-23(13-11-22)28(3,4)5)31-29(32-27)16-18-33(7-2)19-17-29/h8-15H,6-7,16-20H2,1-5H3,(H,30,34)

InChI Key

MYTJKVJTZRTQLK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.71

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.196

Distribution Coefficient, logD

3.554

Water Solubility, LogSw

-5.43

Polar Surface Area

43.767

Acid Dissociation Constant (pKa)

12.74

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

F288-0042 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Spiro Library (21655 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Cyclic compounds

References: we are preparing a list of scientific research reports with F288-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0042?
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What is the minimum amount of F288-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0042
  • 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 F288-0042 available by request