F288-0047 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide

F288-0047 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-1,4,8-triazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-(3,4-difluorophenyl)acetamide
F288-0047 Screening compound: 2-{[3-(4-tert-butylphenyl)-8-ethyl-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 F288-0047
2-{[3-(4-tert-butylphenyl)-8-ethyl-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

F288-0047

Molecular Formula

C27H32F2N4OS (C27 H32 F2 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-(3,4-difluorophenyl)acetamide

IUPAC name

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

SMILES

CCN(CC1)CCC1(N=C1c2ccc(C(C)(C)C)cc2)N=C1SCC(Nc(cc1)cc(F)c1F)=O

InChI

InChI=1S/C27H32F2N4OS/c1-5-33-14-12-27(13-15-33)31-24(18-6-8-19(9-7-18)26(2,3)4)25(32-27)35-17-23(34)30-20-10-11-21(28)22(29)16-20/h6-11,16H,5,12-15,17H2,1-4H3,(H,30,34)

InChI Key

AOOSZLBCPZRPOV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27111884

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.64

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.622

Distribution Coefficient, logD

2.980

Water Solubility, LogSw

-5.34

Polar Surface Area

43.767

Acid Dissociation Constant (pKa)

9.19

Base Dissociation Constant (pKb)

10.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with F288-0047 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F288-0047?
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What is the minimum amount of F288-0047 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F288-0047
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F288-0047
  • 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 F288-0047 available by request