F288-0028 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide

F288-0028 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide
F288-0028 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F288-0028
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3-chloro-4-methoxyphenyl)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

F288-0028

Molecular Formula

C27H33ClN4O2S (C27 H33 ClN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C)c(cc1)ccc1C1=NC2(CCN(C)CC2)N=C1SCC(Nc(cc1)cc(Cl)c1OC)=O

InChI

InChI=1S/C27H33ClN4O2S/c1-26(2,3)19-8-6-18(7-9-19)24-25(31-27(30-24)12-14-32(4)15-13-27)35-17-23(33)29-20-10-11-22(34-5)21(28)16-20/h6-11,16H,12-15,17H2,1-5H3,(H,29,33)

InChI Key

BAYJYEOMTXSTHH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111867

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.1

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.116

Distribution Coefficient, logD

2.628

Water Solubility, LogSw

-5.68

Polar Surface Area

51.337

Acid Dissociation Constant (pKa)

10.66

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

F288-0028 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with F288-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0028?
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What is the minimum amount of F288-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0028
  • 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 F288-0028 available by request