K786-3166 Screening compound: 1-(2,4-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K786-3166 Screening compound: 1-(2,4-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K786-3166 Screening compound: 1-(2,4-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-3166
1-(2,4-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-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

K786-3166

Molecular Formula

C29H29F3N6OS (C29 H29 F3 N6 OS)

Compound Name

1-(2,4-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(24-dimethylphenyl)-3-{[(3E)-2-oxo-1-({4-[3-(trifluoromethyl)phenyl]piperazin-1-yl}methyl)-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

Cc(cc1)cc(C)c1NC(N/N=C(\c(cccc1)c1N1CN(CC2)CCN2c2cc(C(F)(F)F)ccc2)/C1=O)=S

InChI

InChI=1S/C29H29F3N6OS/c1-19-10-11-24(20(2)16-19)33-28(40)35-34-26-23-8-3-4-9-25(23)38(27(26)39)18-36-12-14-37(15-13-36)22-7-5-6-21(17-22)29(30,31)32/h3-11,16-17H,12-15,18H2,1-2H3,(H2,33,35,40)

InChI Key

GZBSMFDKTMEINN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831561

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

566.65

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

6.343

Distribution Coefficient, logD

6.336

Water Solubility, LogSw

-5.66

Polar Surface Area

53.309

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

5.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.60

References: we are preparing a list of scientific research reports with K786-3166 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-3166?
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What is the minimum amount of K786-3166 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-3166
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-3166
  • 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 K786-3166 available by request