8009-7381 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1,3-dimethylthiourea

8009-7381 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1,3-dimethylthiourea
8009-7381 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1,3-dimethylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7381
1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1,3-dimethylthiourea

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

8009-7381

Molecular Formula

C18H16Cl2N4OS (C18 H16 Cl2 N4 OS)

Compound Name

1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-1,3-dimethylthiourea

IUPAC name

1-{[(3E)-1-[(26-dichlorophenyl)methyl]-2-oxo-23-dihydro-1H-indol-3-ylidene]amino}-13-dimethylthiourea

SMILES

CNC(N(C)/N=C(\c(cccc1)c1N1Cc(c(Cl)ccc2)c2Cl)/C1=O)=S

InChI

InChI=1S/C18H16Cl2N4OS/c1-21-18(26)23(2)22-16-11-6-3-4-9-15(11)24(17(16)25)10-12-13(19)7-5-8-14(12)20/h3-9H,10H2,1-2H3,(H,21,26)

InChI Key

OMLRQSQAINVHLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

407.32

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.916

Distribution Coefficient, logD

3.916

Water Solubility, LogSw

-4.27

Polar Surface Area

34.994

Acid Dissociation Constant (pKa)

15.98

Base Dissociation Constant (pKb)

-1.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

8009-7381 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Covalent Inhibitors Library (7986 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-7381 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7381?
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What is the minimum amount of 8009-7381 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7381
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7381
  • 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 8009-7381 available by request