8005-9650 Screening compound: 2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-1,3-benzothiazole

8005-9650 Screening compound: 2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-1,3-benzothiazole
8005-9650 Screening compound: 2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9650
2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-1,3-benzothiazole

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

8005-9650

Molecular Formula

C20H13N5O4S2 (C20 H13 N5 O4 S2)

Compound Name

2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-1,3-benzothiazole

IUPAC name

2-({2-nitro-4-[(E)-[2-(4-nitrophenyl)hydrazin-1-ylidene]methyl]phenyl}sulfanyl)-13-benzothiazole

SMILES

[O-][N+](c(cc1)ccc1N/N=C/c(cc1)cc([N+]([O-])=O)c1Sc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C20H13N5O4S2/c26-24(27)15-8-6-14(7-9-15)23-21-12-13-5-10-19(17(11-13)25(28)29)31-20-22-16-3-1-2-4-18(16)30-20/h1-12,23H

InChI Key

MNLSRZBXHOWSPN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823059

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

451.49

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.622

Distribution Coefficient, logD

6.622

Water Solubility, LogSw

-6.24

Polar Surface Area

96.647

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

2.44

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

References: we are preparing a list of scientific research reports with 8005-9650 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9650?
Check Price and Availability of 8005-9650, 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 8005-9650 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9650
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9650
  • 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 8005-9650 available by request