C250-0127 Screening compound: 2-{[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

C250-0127 Screening compound: 2-{[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide
C250-0127 Screening compound: 2-{[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0127
2-{[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

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

C250-0127

Molecular Formula

C22H22FN3OS (C22 H22 FN3 OS)

Compound Name

2-{[3-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl}-N-phenylacetamide

IUPAC name

2-{[3-(3-fluorophenyl)-14-diazaspiro[4.5]deca-13-dien-2-yl]sulfanyl}-N-phenylacetamide

SMILES

O=C(CSC1=NC2(CCCCC2)N=C1c1cc(F)ccc1)Nc1ccccc1

InChI

InChI=1S/C22H22FN3OS/c23-17-9-7-8-16(14-17)20-21(26-22(25-20)12-5-2-6-13-22)28-15-19(27)24-18-10-3-1-4-11-18/h1,3-4,7-11,14H,2,5-6,12-13,15H2,(H,24,27)

InChI Key

IKVMNMHOXHEZRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14735709

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.5

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.416

Distribution Coefficient, logD

4.416

Water Solubility, LogSw

-4.28

Polar Surface Area

40.230

Acid Dissociation Constant (pKa)

12.86

Base Dissociation Constant (pKb)

0.47

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C250-0127 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0127?
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What is the minimum amount of C250-0127 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0127
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0127
  • 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 C250-0127 available by request