K786-4398 Screening compound: ethyl 2-{[(4E)-4-({[(4-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate

K786-4398 Screening compound: ethyl 2-{[(4E)-4-({[(4-methoxyphenyl)carbamothioyl]amino}imino)-2-methyl-2-(pyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-6-yl]oxy}acetate
K786-4398 Screening compound: ethyl 2-{[(4E)-4-({[(4-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 K786-4398
ethyl 2-{[(4E)-4-({[(4-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

K786-4398

Molecular Formula

C27H28N4O5S (C27 H28 N4 O5 S)

Compound Name

ethyl 2-{[(4E)-4-({[(4-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-({[(4-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(Nc(cc3)ccc3OC)=S)c1OC2(C)c1cnccc1)=O

InChI

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

InChI Key

NDYZRJHBEGYBGS-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03832035

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

4.341

Distribution Coefficient, logD

4.341

Water Solubility, LogSw

-4.22

Polar Surface Area

81.320

Acid Dissociation Constant (pKa)

13.22

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 K786-4398 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4398?
Check Price and Availability of K786-4398, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of K786-4398 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4398
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4398
  • 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 K786-4398 available by request