6712-1058 Screening compound: 5-chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide

6712-1058 Screening compound: 5-chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide
6712-1058 Screening compound: 5-chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-1058
5-chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide

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

6712-1058

Molecular Formula

C20H17ClN2O3S (C20 H17 ClN2 O3 S)

Compound Name

5-chloro-2-methoxy-N-{8-methoxy-4H,5H-naphtho[1,2-d][1,3]thiazol-2-yl}benzamide

IUPAC name

5-chloro-2-methoxy-N-{8-methoxy-4H5H-naphtho[12-d][13]thiazol-2-yl}benzamide

SMILES

COc1cc(-c2c(CC3)sc(NC(c(cc(cc4)Cl)c4OC)=O)n2)c3cc1

InChI

InChI=1S/C20H17ClN2O3S/c1-25-13-6-3-11-4-8-17-18(14(11)10-13)22-20(27-17)23-19(24)15-9-12(21)5-7-16(15)26-2/h3,5-7,9-10H,4,8H2,1-2H3,(H,22,23,24)

InChI Key

LISGBPNEFPKBRT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14711907

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

400.89

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.600

Distribution Coefficient, logD

5.438

Water Solubility, LogSw

-5.86

Polar Surface Area

49.060

Acid Dissociation Constant (pKa)

7.75

Base Dissociation Constant (pKb)

1.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

20.00

6712-1058 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 compounds)

SmartTM Library (51161 compounds)

Anti-HIV1 Library (19540 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epigenetics Focused Set (26518 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 6712-1058 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-1058?
Check Price and Availability of 6712-1058, 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 6712-1058 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-1058
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-1058
  • 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 6712-1058 available by request