2116-0109 Screening compound: 4-methyl-N-(2-{N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide

2116-0109 Screening compound: 4-methyl-N-(2-{N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide
2116-0109 Screening compound: 4-methyl-N-(2-{N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2116-0109
4-methyl-N-(2-{N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide

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

2116-0109

Molecular Formula

C22H18N4O4S (C22 H18 N4 O4 S)

Compound Name

4-methyl-N-(2-{N'-[(3E)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide

IUPAC name

4-methyl-N-(2-{N'-[(3E)-2-oxo-23-dihydro-1H-indol-3-ylidene]hydrazinecarbonyl}phenyl)benzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(Nc(cccc1)c1C(N/N=C(\c(cccc1)c1N1)/C1=O)=O)(=O)=O

InChI

InChI=1S/C22H18N4O4S/c1-14-10-12-15(13-11-14)31(29,30)26-19-9-5-3-7-17(19)21(27)25-24-20-16-6-2-4-8-18(16)23-22(20)28/h2-13,26H,1H3,(H,25,27)(H,23,24,28)

InChI Key

ZIFSJEVFRBAKOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01839710

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.48

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.273

Distribution Coefficient, logD

2.608

Water Solubility, LogSw

-3.85

Polar Surface Area

99.316

Acid Dissociation Constant (pKa)

6.84

Base Dissociation Constant (pKb)

-2.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

4.50

2116-0109 in Drug Discovery

Included in Screening Libraries

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2116-0109 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2116-0109?
Check Price and Availability of 2116-0109, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 2116-0109 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2116-0109
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2116-0109
  • 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 2116-0109 available by request