K786-4341 Screening compound: 1-(2,3-dimethylphenyl)-3-{[(3Z)-1-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

K786-4341 Screening compound: 1-(2,3-dimethylphenyl)-3-{[(3Z)-1-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea
K786-4341 Screening compound: 1-(2,3-dimethylphenyl)-3-{[(3Z)-1-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound K786-4341
1-(2,3-dimethylphenyl)-3-{[(3Z)-1-[(3,5-dimethylpiperidin-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

K786-4341

Molecular Formula

C25H31N5OS (C25 H31 N5 OS)

Compound Name

1-(2,3-dimethylphenyl)-3-{[(3Z)-1-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}thiourea

IUPAC name

1-(23-dimethylphenyl)-3-{[(3Z)-1-[(35-dimethylpiperidin-1-yl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}thiourea

SMILES

CC1CN(CN(c(cccc2)c2/C2=N/NC(Nc3c(C)c(C)ccc3)=S)C2=O)CC(C)C1

InChI

InChI=1S/C25H31N5OS/c1-16-12-17(2)14-29(13-16)15-30-22-11-6-5-9-20(22)23(24(30)31)27-28-25(32)26-21-10-7-8-18(3)19(21)4/h5-11,16-17H,12-15H2,1-4H3,(H2,26,28,32)

InChI Key

NRBIGVKIJBQPEA-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03832010

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.62

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

5.949

Distribution Coefficient, logD

5.449

Water Solubility, LogSw

-5.51

Polar Surface Area

49.916

Acid Dissociation Constant (pKa)

11.51

Base Dissociation Constant (pKb)

7.74

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.00

K786-4341 in Drug Discovery

Included in Screening Libraries

Regenerative Medicine Focused Library (23016 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds

References: we are preparing a list of scientific research reports with K786-4341 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound K786-4341?
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What is the minimum amount of K786-4341 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for K786-4341
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for K786-4341
  • 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 K786-4341 available by request