C250-0829 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione

C250-0829 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione
C250-0829 Screening compound: 1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound C250-0829
1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.4]non-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

C250-0829

Molecular Formula

C21H19ClN2O2S (C21 H19 ClN2 O2 S)

Compound Name

1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-1,4-diazaspiro[4.4]non-3-ene-2-thione

IUPAC name

1-(4-chlorobenzoyl)-3-(4-methoxyphenyl)-14-diazaspiro[4.4]non-3-ene-2-thione

SMILES

COc(cc1)ccc1C1=NC2(CCCC2)N(C(c(cc2)ccc2Cl)=O)C1=S

InChI

InChI=1S/C21H19ClN2O2S/c1-26-17-10-6-14(7-11-17)18-20(27)24(21(23-18)12-2-3-13-21)19(25)15-4-8-16(22)9-5-15/h4-11H,2-3,12-13H2,1H3

InChI Key

VEQFMRQONBZMJE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD26963603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

398.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.385

Distribution Coefficient, logD

4.385

Water Solubility, LogSw

-4.61

Polar Surface Area

31.715

Acid Dissociation Constant (pKa)

27.61

Base Dissociation Constant (pKb)

-3.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with C250-0829 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C250-0829?
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What is the minimum amount of C250-0829 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C250-0829
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C250-0829
  • 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 C250-0829 available by request