2513-2625 Screening compound: 5-chloro-N-{4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide

2513-2625 Screening compound: 5-chloro-N-{4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide
2513-2625 Screening compound: 5-chloro-N-{4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 2513-2625
5-chloro-N-{4H,5H-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

2513-2625

Molecular Formula

C18H12ClN3O3S (C18 H12 ClN3 O3 S)

Compound Name

5-chloro-N-{4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}-2-nitrobenzamide

IUPAC name

5-chloro-N-{4H5H-naphtho[12-d][13]thiazol-2-yl}-2-nitrobenzamide

SMILES

[O-][N+](c(ccc(Cl)c1)c1C(Nc1nc(-c2c(CC3)cccc2)c3s1)=O)=O

InChI

InChI=1S/C18H12ClN3O3S/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/h1-4,6-7,9H,5,8H2,(H,20,21,23)

InChI Key

LOHVSOWZEWODEZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01932225

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.83

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

5.061

Distribution Coefficient, logD

4.179

Water Solubility, LogSw

-5.16

Polar Surface Area

66.967

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

-0.37

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

11.10

2513-2625 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)

New Agro Library (44492 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Structure:
  • Cyclic compounds
  • 3D
  • Fragments
Agro:
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 2513-2625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2513-2625?
Check Price and Availability of 2513-2625, 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 2513-2625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 2513-2625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 2513-2625
  • 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 2513-2625 available by request