8006-9726 Screening compound: 2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide

8006-9726 Screening compound: 2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide
8006-9726 Screening compound: 2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-9726
2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide

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

8006-9726

Molecular Formula

C21H13N5O6S2 (C21 H13 N5 O6 S2)

Compound Name

2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide

IUPAC name

2-hydroxy-N'-[(Z)-{3-nitro-4-[(6-nitro-13-benzothiazol-2-yl)sulfanyl]phenyl}methylidene]benzohydrazide

SMILES

[O-][N+](c(cc1)cc2c1nc(Sc(ccc(/C=N\NC(c(cccc1)c1O)=O)c1)c1[N+]([O-])=O)s2)=O

InChI

InChI=1S/C21H13N5O6S2/c27-17-4-2-1-3-14(17)20(28)24-22-11-12-5-8-18(16(9-12)26(31)32)33-21-23-15-7-6-13(25(29)30)10-19(15)34-21/h1-11,27H,(H,24,28)

InChI Key

RPXZBSGQROYQLF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00827660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.5

Hydrogen Bond Acceptors Count

14.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

6.100

Distribution Coefficient, logD

6.035

Water Solubility, LogSw

-5.65

Polar Surface Area

127.374

Acid Dissociation Constant (pKa)

8.19

Base Dissociation Constant (pKb)

-1.62

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8006-9726 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-9726?
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What is the minimum amount of 8006-9726 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-9726
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-9726
  • 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 8006-9726 available by request