8013-9989 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

8013-9989 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide
8013-9989 Screening compound: N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-9989
N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

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

8013-9989

Molecular Formula

C17H13N7O2S (C17 H13 N7 O2 S)

Compound Name

N'-[(3Z)-2-oxo-2,3-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetohydrazide

IUPAC name

N'-[(3Z)-2-oxo-23-dihydro-1H-indol-3-ylidene]-2-[(1-phenyl-1H-1234-tetrazol-5-yl)sulfanyl]acetohydrazide

SMILES

O=C(CSc1nnnn1-c1ccccc1)N/N=C(/c(cccc1)c1N1)\C1=O

InChI

InChI=1S/C17H13N7O2S/c25-14(19-20-15-12-8-4-5-9-13(12)18-16(15)26)10-27-17-21-22-23-24(17)11-6-2-1-3-7-11/h1-9H,10H2,(H,19,25)(H,18,20,26)

InChI Key

LVCTZAORFYVKSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01408506

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.099

Distribution Coefficient, logD

2.095

Water Solubility, LogSw

-3.15

Polar Surface Area

99.073

Acid Dissociation Constant (pKa)

9.49

Base Dissociation Constant (pKb)

-1.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

5.90

References: we are preparing a list of scientific research reports with 8013-9989 chemical compound. It will be published here after verification.

Frequently Asked Questions

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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-9989
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-9989
  • 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 8013-9989 available by request