K786-4367 Screening compound: 3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea

K786-4367 Screening compound: 3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea
K786-4367 Screening compound: 3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4367
3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea

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

K786-4367

Molecular Formula

C27H27FN6O2S (C27 H27 FN6 O2 S)

Compound Name

3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea

IUPAC name

3-{[(3Z)-1-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}-1-(3-methoxyphenyl)thiourea

SMILES

COc1cccc(NC(N/N=C(/c(cccc2)c2N2CN(CC3)CCN3c(cccc3)c3F)\C2=O)=S)c1

InChI

InChI=1S/C27H27FN6O2S/c1-36-20-8-6-7-19(17-20)29-27(37)31-30-25-21-9-2-4-11-23(21)34(26(25)35)18-32-13-15-33(16-14-32)24-12-5-3-10-22(24)28/h2-12,17H,13-16,18H2,1H3,(H2,29,31,37)

InChI Key

QSSSQUWISBLTFN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832021

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

518.62

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.063

Distribution Coefficient, logD

5.061

Water Solubility, LogSw

-4.58

Polar Surface Area

61.250

Acid Dissociation Constant (pKa)

11.63

Base Dissociation Constant (pKb)

5.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K786-4367 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4367?
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What is the minimum amount of K786-4367 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4367
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4367
  • 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 K786-4367 available by request