8003-3869 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole

8003-3869 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole
8003-3869 Screening compound: 2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8003-3869
2-{[(4-nitrophenyl)methyl]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

8003-3869

Molecular Formula

C14H10N2O2S2 (C14 H10 N2 O2 S2)

Compound Name

2-{[(4-nitrophenyl)methyl]sulfanyl}-1,3-benzothiazole

IUPAC name

2-{[(4-nitrophenyl)methyl]sulfanyl}-13-benzothiazole

SMILES

[O-][N+](c1ccc(CSc2nc(cccc3)c3s2)cc1)=O

InChI

InChI=1S/C14H10N2O2S2/c17-16(18)11-7-5-10(6-8-11)9-19-14-15-12-3-1-2-4-13(12)20-14/h1-8H,9H2

InChI Key

LLIQPZZJZQYJNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00099032

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

302.38

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.449

Distribution Coefficient, logD

4.449

Water Solubility, LogSw

-4.57

Polar Surface Area

42.430

Acid Dissociation Constant (pKa)

24.63

Base Dissociation Constant (pKb)

1.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

8003-3869 in Drug Discovery

Included in Screening Libraries

Human Receptors Annotated Library (5376 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 8003-3869 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8003-3869?
Check Price and Availability of 8003-3869, 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 8003-3869 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8003-3869
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8003-3869
  • 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 8003-3869 available by request