3232-0363 Screening compound: N-{5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide

3232-0363 Screening compound: N-{5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide
3232-0363 Screening compound: N-{5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3232-0363
N-{5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide

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

3232-0363

Molecular Formula

C13H8N4O5S2 (C13 H8 N4 O5 S2)

Compound Name

N-{5-[(3Z)-5-nitro-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}acetamide

IUPAC name

N-{5-[(3Z)-5-nitro-2-oxo-23-dihydro-1H-indol-3-ylidene]-4-oxo-2-sulfanylidene-13-thiazolidin-3-yl}acetamide

SMILES

CC(NN(C(/C(/S1)=C(\c(cc(cc2)[N+]([O-])=O)c2N2)/C2=O)=O)C1=S)=O

InChI

InChI=1S/C13H8N4O5S2/c1-5(18)15-16-12(20)10(24-13(16)23)9-7-4-6(17(21)22)2-3-8(7)14-11(9)19/h2-4H,1H3,(H,14,19)(H,15,18)

InChI Key

MFQRWMLMLWESHT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01848278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.36

Hydrogen Bond Acceptors Count

13.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.891

Distribution Coefficient, logD

0.874

Water Solubility, LogSw

-2.50

Polar Surface Area

101.639

Acid Dissociation Constant (pKa)

8.80

Base Dissociation Constant (pKb)

0.18

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.70

3232-0363 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3232-0363 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3232-0363?
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What is the minimum amount of 3232-0363 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3232-0363
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3232-0363
  • 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 3232-0363 available by request