K786-3965 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{[(3Z)-1-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K786-3965 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{[(3Z)-1-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K786-3965 Screening compound: 1-(3-chloro-2-methylphenyl)-3-{[(3Z)-1-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3965
1-(3-chloro-2-methylphenyl)-3-{[(3Z)-1-{[4-(3-chlorophenyl)piperazin-1-yl]methyl}-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}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

K786-3965

Molecular Formula

C27H26Cl2N6OS (C27 H26 Cl2 N6 OS)

Compound Name

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

IUPAC name

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

SMILES

Cc(c(NC(N/N=C(/c(cccc1)c1N1CN(CC2)CCN2c2cc(Cl)ccc2)\C1=O)=S)ccc1)c1Cl

InChI

InChI=1S/C27H26Cl2N6OS/c1-18-22(29)9-5-10-23(18)30-27(37)32-31-25-21-8-2-3-11-24(21)35(26(25)36)17-33-12-14-34(15-13-33)20-7-4-6-19(28)16-20/h2-11,16H,12-15,17H2,1H3,(H2,30,32,37)

InChI Key

HBVWBMQWWLIPLL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831900

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

553.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.451

Distribution Coefficient, logD

6.443

Water Solubility, LogSw

-6.01

Polar Surface Area

53.309

Acid Dissociation Constant (pKa)

9.85

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

References: we are preparing a list of scientific research reports with K786-3965 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3965?
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What is the minimum amount of K786-3965 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3965
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3965
  • 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 K786-3965 available by request