K786-4408 Screening compound: ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate

K786-4408 Screening compound: ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
K786-4408 Screening compound: ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4408
ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}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

K786-4408

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate

IUPAC name

ethyl 2-{[(4E)-4-({[(3-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-34-dihydro-2H-1-benzopyran-6-yl]oxy}acetate

SMILES

CCOC(COc(cc1)cc(/C(/C2)=N/NC(Nc3cc(OC)ccc3)=S)c1OC2(C)c1cnccc1)=O

InChI

InChI=1S/C27H28N4O5S/c1-4-34-25(32)17-35-21-10-11-24-22(14-21)23(15-27(2,36-24)18-7-6-12-28-16-18)30-31-26(37)29-19-8-5-9-20(13-19)33-3/h5-14,16H,4,15,17H2,1-3H3,(H2,29,31,37)/t27-/m0/s1

InChI Key

FAGLSKAXVRAOBX-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03832044

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

520.61

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.426

Distribution Coefficient, logD

4.425

Water Solubility, LogSw

-4.25

Polar Surface Area

81.320

Acid Dissociation Constant (pKa)

13.00

Base Dissociation Constant (pKb)

3.90

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

25.90

References: we are preparing a list of scientific research reports with K786-4408 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4408?
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What is the minimum amount of K786-4408 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4408
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4408
  • 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 K786-4408 available by request