8007-2989 Screening compound: 4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2-thione

8007-2989 Screening compound: 4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2-thione
8007-2989 Screening compound: 4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-2989
4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-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

8007-2989

Molecular Formula

C21H22ClN3OS (C21 H22 ClN3 OS)

Compound Name

4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2-thione

IUPAC name

(4Z)-4-[(5-chloro-2-methylphenyl)imino]-1-(4-hydroxyphenyl)-13-diazaspiro[4.5]decane-2-thione

SMILES

Cc(ccc(Cl)c1)c1/N=C(/C1(CCCCC1)N1c(cc2)ccc2O)\NC1=S

InChI

InChI=1S/C21H22ClN3OS/c1-14-5-6-15(22)13-18(14)23-19-21(11-3-2-4-12-21)25(20(27)24-19)16-7-9-17(26)10-8-16/h5-10,13,26H,2-4,11-12H2,1H3,(H,23,24,27)

InChI Key

HKDDOFDVFQFKTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588317

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.94

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.157

Distribution Coefficient, logD

5.146

Water Solubility, LogSw

-5.21

Polar Surface Area

38.453

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

5.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.33

References: we are preparing a list of scientific research reports with 8007-2989 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-2989?
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What is the minimum amount of 8007-2989 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-2989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-2989
  • 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 8007-2989 available by request