K786-0933 Screening compound: ethyl 2-[(4E)-4-({[(2-ethyl-6-methylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate

K786-0933 Screening compound: ethyl 2-[(4E)-4-({[(2-ethyl-6-methylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate
K786-0933 Screening compound: ethyl 2-[(4E)-4-({[(2-ethyl-6-methylphenyl)carbamothioyl]amino}imino)-3,4-dihydrospiro[1-benzopyran-2,1'-cyclohexan]-6-yloxy]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-0933
ethyl 2-[(4E)-4-({[(2-ethyl-6-methylphenyl)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

K786-0933

Molecular Formula

C28H35N3O4S (C28 H35 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CCc(cccc1C)c1NC(N/N=C1/c(cc(cc2)OCC(OCC)=O)c2OC2(CCCCC2)C1)=S

InChI

InChI=1S/C28H35N3O4S/c1-4-20-11-9-10-19(3)26(20)29-27(36)31-30-23-17-28(14-7-6-8-15-28)35-24-13-12-21(16-22(23)24)34-18-25(32)33-5-2/h9-13,16H,4-8,14-15,17-18H2,1-3H3,(H2,29,31,36)

InChI Key

YNWJHVBVMPOBRA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831003

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

509.67

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.911

Distribution Coefficient, logD

5.910

Water Solubility, LogSw

-5.25

Polar Surface Area

62.585

Acid Dissociation Constant (pKa)

12.61

Base Dissociation Constant (pKb)

4.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.40

References: we are preparing a list of scientific research reports with K786-0933 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-0933?
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What is the minimum amount of K786-0933 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-0933
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-0933
  • 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 K786-0933 available by request