8009-5963 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-3-methylthiourea

8009-5963 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-3-methylthiourea
8009-5963 Screening compound: 1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-3-methylthiourea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-5963
1-{[(3E)-1-[(2,6-dichlorophenyl)methyl]-2-oxo-2,3-dihydro-1H-indol-3-ylidene]amino}-3-methylthiourea

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

8009-5963

Molecular Formula

C17H14Cl2N4OS (C17 H14 Cl2 N4 OS)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C17H14Cl2N4OS/c1-20-17(25)22-21-15-10-5-2-3-8-14(10)23(16(15)24)9-11-12(18)6-4-7-13(11)19/h2-8H,9H2,1H3,(H2,20,22,25)

InChI Key

IZGXBMBWJIJWTR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01361032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

393.3

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.987

Distribution Coefficient, logD

3.987

Water Solubility, LogSw

-4.37

Polar Surface Area

47.065

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

-2.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.80

8009-5963 in Drug Discovery

Included in Screening Libraries

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8009-5963 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-5963?
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What is the minimum amount of 8009-5963 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-5963
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-5963
  • 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 8009-5963 available by request