0781-2611 Screening compound: 5-nitro-1H-1,3-benzodiazole-2-thiol

0781-2611 Screening compound: 5-nitro-1H-1,3-benzodiazole-2-thiol
0781-2611 Screening compound: 5-nitro-1H-1,3-benzodiazole-2-thiol alternative view

Chemical Structure Depiction of ChemDiv screening compound 0781-2611
5-nitro-1H-1,3-benzodiazole-2-thiol

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

0781-2611

Molecular Formula

C7H5N3O2S (C7 H5 N3 O2 S)

Compound Name

5-nitro-1H-1,3-benzodiazole-2-thiol

IUPAC name

5-nitro-1H-13-benzodiazole-2-thiol

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(S)n2)=O

InChI

InChI=1S/C7H5N3O2S/c11-10(12)4-1-2-5-6(3-4)9-7(13)8-5/h1-3H,(H2,8,9,13)

InChI Key

YPXQSGWOGQPLQO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00804727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

195.2

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.725

Distribution Coefficient, logD

1.715

Water Solubility, LogSw

-2.08

Polar Surface Area

50.510

Acid Dissociation Constant (pKa)

10.84

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

0781-2611 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 0781-2611 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0781-2611?
Check Price and Availability of 0781-2611, 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 0781-2611 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0781-2611
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0781-2611
  • 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 0781-2611 available by request