F288-0090 Screening compound: 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide

F288-0090 Screening compound: 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide
F288-0090 Screening compound: 2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(4-methoxyphenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F288-0090
2-{[3-(4-bromophenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(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

F288-0090

Molecular Formula

C23H25BrN4O2S (C23 H25 BrN4 O2 S)

Compound Name

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

IUPAC name

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

SMILES

CN(CC1)CCC1(N=C1c(cc2)ccc2Br)N=C1SCC(Nc(cc1)ccc1OC)=O

InChI

InChI=1S/C23H25BrN4O2S/c1-28-13-11-23(12-14-28)26-21(16-3-5-17(24)6-4-16)22(27-23)31-15-20(29)25-18-7-9-19(30-2)10-8-18/h3-10H,11-15H2,1-2H3,(H,25,29)

InChI Key

FIHCJIJADRZPQF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

501.45

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.628

Distribution Coefficient, logD

1.139

Water Solubility, LogSw

-3.90

Polar Surface Area

51.251

Acid Dissociation Constant (pKa)

12.54

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

F288-0090 in Drug Discovery

Included in Screening Libraries

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with F288-0090 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0090?
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What is the minimum amount of F288-0090 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0090
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0090
  • 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 F288-0090 available by request