C707-0052 Screening compound: ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate

C707-0052 Screening compound: ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate
C707-0052 Screening compound: ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C707-0052
ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate

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

C707-0052

Molecular Formula

C24H20ClN3O3 (C24 H20 ClN3 O3)

Compound Name

ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate

IUPAC name

ethyl 3-[2-(5-chloro-3-phenyl-1H-indazol-1-yl)acetamido]benzoate

SMILES

CCOC(c1cccc(NC(Cn(c(cc2)c3cc2Cl)nc3-c2ccccc2)=O)c1)=O

InChI

InChI=1S/C24H20ClN3O3/c1-2-31-24(30)17-9-6-10-19(13-17)26-22(29)15-28-21-12-11-18(25)14-20(21)23(27-28)16-7-4-3-5-8-16/h3-14H,2,15H2,1H3,(H,26,29)

InChI Key

PDEHJNFNKWMCEV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14786483

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.718

Distribution Coefficient, logD

5.718

Water Solubility, LogSw

-5.95

Polar Surface Area

57.848

Acid Dissociation Constant (pKa)

12.05

Base Dissociation Constant (pKb)

-0.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

C707-0052 in Drug Discovery

Included in Screening Libraries

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

Serine Proteases Inhibitors Library (32732 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Hemic and lymphatic
  • Endocrine
  • Immune system
Targets:
  • Proteases
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with C707-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C707-0052?
Check Price and Availability of C707-0052, 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 C707-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C707-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C707-0052
  • 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 C707-0052 available by request