2513-2616 Screening compound: 5-chloro-N-{naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide

2513-2616 Screening compound: 5-chloro-N-{naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide
2513-2616 Screening compound: 5-chloro-N-{naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-2616
5-chloro-N-{naphtho[1,2-d][1,3]thiazol-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

2513-2616

Molecular Formula

C18H10ClN3O3S (C18 H10 ClN3 O3 S)

Compound Name

5-chloro-N-{naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide

IUPAC name

5-chloro-N-{naphtho[12-d][13]thiazol-2-yl}-2-nitrobenzamide

SMILES

[O-][N+](c(ccc(Cl)c1)c1C(Nc1nc(c2ccccc2cc2)c2s1)=O)=O

InChI

InChI=1S/C18H10ClN3O3S/c19-11-6-7-14(22(24)25)13(9-11)17(23)21-18-20-16-12-4-2-1-3-10(12)5-8-15(16)26-18/h1-9H,(H,20,21,23)

InChI Key

HTYIJIVUCIXIQM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932222

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.81

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

5.167

Distribution Coefficient, logD

4.748

Water Solubility, LogSw

-5.79

Polar Surface Area

66.670

Acid Dissociation Constant (pKa)

7.19

Base Dissociation Constant (pKb)

-0.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

2513-2616 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Covalent Inhibitors Library (7986 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 2513-2616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-2616?
Check Price and Availability of 2513-2616, 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 2513-2616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-2616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-2616
  • 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 2513-2616 available by request