K067-0055 Screening compound: N'-[(1Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

K067-0055 Screening compound: N'-[(1Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide
K067-0055 Screening compound: N'-[(1Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound K067-0055
N'-[(1Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

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

K067-0055

Molecular Formula

C26H33IN2O8 (C26 H33 IN2 O8)

Compound Name

N'-[(1Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]tetrahydro-3a'H-dispiro[cyclohexane-1,2'-bis[1,3]dioxolo[4,5-b:4',5'-d]pyran-7',1''-cyclohexane]-5'-carbohydrazide

IUPAC name

N'-[(Z)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]dispiro[cyclohexane-14'-[3571012]pentaoxatricyclo[7.3.0.0^{26}]dodecane-11'1''-cyclohexane]-8'-carbohydrazide

SMILES

COc1cc(/C=N\NC(C2OC3OC4(CCCCC4)OC3C3OC4(CCCCC4)OC23)=O)cc(I)c1O

InChI

InChI=1S/C26H33IN2O8/c1-32-17-13-15(12-16(27)18(17)30)14-28-29-23(31)21-19-20(35-25(34-19)8-4-2-5-9-25)22-24(33-21)37-26(36-22)10-6-3-7-11-26/h12-14,19-22,24,30H,2-11H2,1H3,(H,29,31)

InChI Key

PGKNQBWYPMQJNS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02111451

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

628.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.641

Distribution Coefficient, logD

4.590

Water Solubility, LogSw

-4.21

Polar Surface Area

96.279

Acid Dissociation Constant (pKa)

8.31

Base Dissociation Constant (pKb)

-0.70

Number of Chiral Centers

5.00

Percent sp3 carbon bonding

69.20

References: we are preparing a list of scientific research reports with K067-0055 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K067-0055?
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What is the minimum amount of K067-0055 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K067-0055
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K067-0055
  • 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 K067-0055 available by request