4135-0028 Screening compound: 5-nitro-2-(thiophen-2-yl)-1H-1,3-benzodiazole

4135-0028 Screening compound: 5-nitro-2-(thiophen-2-yl)-1H-1,3-benzodiazole
4135-0028 Screening compound: 5-nitro-2-(thiophen-2-yl)-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 4135-0028
5-nitro-2-(thiophen-2-yl)-1H-1,3-benzodiazole

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

4135-0028

Molecular Formula

C11H7N3O2S (C11 H7 N3 O2 S)

Compound Name

5-nitro-2-(thiophen-2-yl)-1H-1,3-benzodiazole

IUPAC name

5-nitro-2-(thiophen-2-yl)-1H-13-benzodiazole

SMILES

[O-][N+](c(cc1)cc2c1[nH]c(-c1cccs1)n2)=O

InChI

InChI=1S/C11H7N3O2S/c15-14(16)7-3-4-8-9(6-7)13-11(12-8)10-2-1-5-17-10/h1-6H,(H,12,13)

InChI Key

HMNHLRCFIFTELE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00441576

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

245.26

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.220

Distribution Coefficient, logD

3.015

Water Solubility, LogSw

-3.48

Polar Surface Area

53.658

Acid Dissociation Constant (pKa)

9.41

Base Dissociation Constant (pKb)

1.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

4135-0028 in Drug Discovery

Included in Screening Libraries

Human Kinases Annotated Library (2415 compounds)

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 4135-0028 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4135-0028?
Check Price and Availability of 4135-0028, 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 4135-0028 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4135-0028
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4135-0028
  • 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 4135-0028 available by request