K786-0924 Screening compound: ethyl 2-[(4E)-4-({[(3,4-dimethylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate

K786-0924 Screening compound: ethyl 2-[(4E)-4-({[(3,4-dimethylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate
K786-0924 Screening compound: ethyl 2-[(4E)-4-({[(3,4-dimethylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0924
ethyl 2-[(4E)-4-({[(3,4-dimethylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate

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

K786-0924

Molecular Formula

C27H33N3O4S (C27 H33 N3 O4 S)

Compound Name

ethyl 2-[(4E)-4-({[(3,4-dimethylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate

IUPAC name

ethyl 2-[(4E)-4-({[(34-dimethylphenyl)carbamothioyl]amino}imino)-34-dihydrospiro[1-benzopyran-21'-cyclohexan]-6-yloxy]acetate

SMILES

CCOC(COc(cc1)cc2c1OC1(CCCCC1)C/C2=N\NC(Nc1cc(C)c(C)cc1)=S)=O

InChI

InChI=1S/C27H33N3O4S/c1-4-32-25(31)17-33-21-10-11-24-22(15-21)23(16-27(34-24)12-6-5-7-13-27)29-30-26(35)28-20-9-8-18(2)19(3)14-20/h8-11,14-15H,4-7,12-13,16-17H2,1-3H3,(H2,28,30,35)

InChI Key

PIUJZETUKDYWPG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03830994

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.64

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.162

Distribution Coefficient, logD

6.162

Water Solubility, LogSw

-5.27

Polar Surface Area

63.981

Acid Dissociation Constant (pKa)

14.03

Base Dissociation Constant (pKb)

3.11

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.40

References: we are preparing a list of scientific research reports with K786-0924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0924?
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What is the minimum amount of K786-0924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0924
  • 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 K786-0924 available by request