8016-2488 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide

8016-2488 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide
8016-2488 Screening compound: N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-2488
N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide

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

8016-2488

Molecular Formula

C14H8FN3O3S (C14 H8 FN3 O3 S)

Compound Name

N-(6-fluoro-1,3-benzothiazol-2-yl)-2-nitrobenzamide

IUPAC name

N-(6-fluoro-13-benzothiazol-2-yl)-2-nitrobenzamide

SMILES

[O-][N+](c(cccc1)c1C(Nc1nc(ccc(F)c2)c2s1)=O)=O

InChI

InChI=1S/C14H8FN3O3S/c15-8-5-6-10-12(7-8)22-14(16-10)17-13(19)9-3-1-2-4-11(9)18(20)21/h1-7H,(H,16,17,19)

InChI Key

XWHZRMWLLUPWAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04217425

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.629

Distribution Coefficient, logD

3.312

Water Solubility, LogSw

-4.19

Polar Surface Area

66.172

Acid Dissociation Constant (pKa)

7.37

Base Dissociation Constant (pKb)

-1.79

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8016-2488 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8016-2488 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-2488?
Check Price and Availability of 8016-2488, 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 8016-2488 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-2488
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-2488
  • 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 8016-2488 available by request