3300-0183 Screening compound: 4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide

3300-0183 Screening compound: 4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide
3300-0183 Screening compound: 4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3300-0183
4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-1,3-thiazolidin-2-ylidene]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

3300-0183

Molecular Formula

C18H12N4O7S2 (C18 H12 N4 O7 S2)

Compound Name

4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-1,3-thiazolidin-2-ylidene]benzene-1-sulfonamide

IUPAC name

4-methoxy-N-[(2Z)-5-[(3Z)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-13-thiazolidin-2-ylidene]benzene-1-sulfonamide

SMILES

COc(cc1)ccc1S(/N=C(/NC1=O)\S/C1=C(/c(cc(cc1)[N+]([O-])=O)c1N1)\C1=O)(=O)=O

InChI

InChI=1S/C18H12N4O7S2/c1-29-10-3-5-11(6-4-10)31(27,28)21-18-20-17(24)15(30-18)14-12-8-9(22(25)26)2-7-13(12)19-16(14)23/h2-8H,1H3,(H,19,23)(H,20,21,24)

InChI Key

XDWSUKZSNIETJV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02162840

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.45

Hydrogen Bond Acceptors Count

15.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

2.189

Distribution Coefficient, logD

1.550

Water Solubility, LogSw

-3.11

Polar Surface Area

130.802

Acid Dissociation Constant (pKa)

6.87

Base Dissociation Constant (pKb)

-4.60

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.60

3300-0183 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

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 3300-0183 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3300-0183?
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What is the minimum amount of 3300-0183 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3300-0183
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3300-0183
  • 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 3300-0183 available by request