F288-0014 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide

F288-0014 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
F288-0014 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound F288-0014
2-{[3-(4-tert-butylphenyl)-8-methyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)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

F288-0014

Molecular Formula

C26H30F2N4OS (C26 H30 F2 N4 OS)

Compound Name

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

IUPAC name

2-{[3-(4-tert-butylphenyl)-8-methyl-148-triazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-(34-difluorophenyl)acetamide

SMILES

CC(C)(C)c(cc1)ccc1C1=NC2(CCN(C)CC2)N=C1SCC(Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C26H30F2N4OS/c1-25(2,3)18-7-5-17(6-8-18)23-24(31-26(30-23)11-13-32(4)14-12-26)34-16-22(33)29-19-9-10-20(27)21(28)15-19/h5-10,15H,11-14,16H2,1-4H3,(H,29,33)

InChI Key

IQAVFZPEXAERGQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111855

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.61

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.962

Distribution Coefficient, logD

2.474

Water Solubility, LogSw

-4.53

Polar Surface Area

43.707

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

9.89

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.30

F288-0014 in Drug Discovery

Included in Screening Libraries

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 F288-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0014?
Check Price and Availability of F288-0014, 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 F288-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0014
  • 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 F288-0014 available by request