C250-0911 Screening compound: 1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

C250-0911 Screening compound: 1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
C250-0911 Screening compound: 1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0911
1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

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

C250-0911

Molecular Formula

C22H20F2N2OS (C22 H20 F2 N2 OS)

Compound Name

1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

IUPAC name

1-(3-fluorobenzoyl)-3-(4-fluorophenyl)-14-diazaspiro[4.6]undec-3-ene-2-thione

SMILES

O=C(c1cc(F)ccc1)N(C1(CCCCCC1)N=C1c(cc2)ccc2F)C1=S

InChI

InChI=1S/C22H20F2N2OS/c23-17-10-8-15(9-11-17)19-21(28)26(20(27)16-6-5-7-18(24)14-16)22(25-19)12-3-1-2-4-13-22/h5-11,14H,1-4,12-13H2

InChI Key

WSWMIXMYQWPLGW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963677

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.48

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.874

Distribution Coefficient, logD

4.874

Water Solubility, LogSw

-4.82

Polar Surface Area

24.136

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-2.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C250-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0911?
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What is the minimum amount of C250-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0911
  • 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 C250-0911 available by request