K786-1369 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-2-oxo-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K786-1369 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-2-oxo-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K786-1369 Screening compound: 1-(2-methylphenyl)-3-{[(3Z)-2-oxo-1-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-1369
1-(2-methylphenyl)-3-{[(3Z)-2-oxo-1-[(1,2,3,4-tetrahydroisoquinolin-2-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

K786-1369

Molecular Formula

C26H25N5OS (C26 H25 N5 OS)

Compound Name

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

IUPAC name

1-(2-methylphenyl)-3-{[(3Z)-2-oxo-1-[(1234-tetrahydroisoquinolin-2-yl)methyl]-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

Cc(cccc1)c1NC(N/N=C(/c(cccc1)c1N1CN(CC2)Cc3c2cccc3)\C1=O)=S

InChI

InChI=1S/C26H25N5OS/c1-18-8-2-6-12-22(18)27-26(33)29-28-24-21-11-5-7-13-23(21)31(25(24)32)17-30-15-14-19-9-3-4-10-20(19)16-30/h2-13H,14-17H2,1H3,(H2,27,29,33)

InChI Key

HQPRRZCXDQXBPZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03831066

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.58

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.214

Distribution Coefficient, logD

5.180

Water Solubility, LogSw

-4.90

Polar Surface Area

49.711

Acid Dissociation Constant (pKa)

10.79

Base Dissociation Constant (pKb)

6.31

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.20

K786-1369 in Drug Discovery

Included in Screening Libraries

Antibacterial Compounds Library (13827 compounds)

Covalent Inhibitors Library (7986 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Structure:
  • Cyclic compounds
  • 3D
  • Fragments

References: we are preparing a list of scientific research reports with K786-1369 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-1369?
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What is the minimum amount of K786-1369 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-1369
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-1369
  • 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 K786-1369 available by request