C250-0493 Screening compound: 3-(3,4-dichlorophenyl)-1-(4-fluorobenzoyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione

C250-0493 Screening compound: 3-(3,4-dichlorophenyl)-1-(4-fluorobenzoyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione
C250-0493 Screening compound: 3-(3,4-dichlorophenyl)-1-(4-fluorobenzoyl)-1,4-diazaspiro[4.6]undec-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0493
3-(3,4-dichlorophenyl)-1-(4-fluorobenzoyl)-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

C250-0493

Molecular Formula

C22H19Cl2FN2OS (C22 H19 Cl2 FN2 OS)

Compound Name

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

IUPAC name

3-(34-dichlorophenyl)-1-(4-fluorobenzoyl)-14-diazaspiro[4.6]undec-3-ene-2-thione

SMILES

O=C(c(cc1)ccc1F)N(C1(CCCCCC1)N=C1c(cc2)cc(Cl)c2Cl)C1=S

InChI

InChI=1S/C22H19Cl2FN2OS/c23-17-10-7-15(13-18(17)24)19-21(29)27(20(28)14-5-8-16(25)9-6-14)22(26-19)11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2

InChI Key

BRVWXHZJJMJHFB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14736007

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.38

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

6.266

Distribution Coefficient, logD

6.266

Water Solubility, LogSw

-6.43

Polar Surface Area

24.136

Acid Dissociation Constant (pKa)

27.78

Base Dissociation Constant (pKb)

-2.95

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.80

References: we are preparing a list of scientific research reports with C250-0493 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0493?
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What is the minimum amount of C250-0493 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0493
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0493
  • 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 C250-0493 available by request