C791-0461 Screening compound: ethyl 4-[2-(1H-indazol-1-yl)acetamido]benzoate

C791-0461 Screening compound: ethyl 4-[2-(1H-indazol-1-yl)acetamido]benzoate
C791-0461 Screening compound: ethyl 4-[2-(1H-indazol-1-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C791-0461
ethyl 4-[2-(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

C791-0461

Molecular Formula

C18H17N3O3 (C18 H17 N3 O3)

Compound Name

ethyl 4-[2-(1H-indazol-1-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(1H-indazol-1-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1ncc2c1cccc2)=O)=O

InChI

InChI=1S/C18H17N3O3/c1-2-24-18(23)13-7-9-15(10-8-13)20-17(22)12-21-16-6-4-3-5-14(16)11-19-21/h3-11H,2,12H2,1H3,(H,20,22)

InChI Key

UPUXABOANYUUON-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14795757

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

323.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.398

Distribution Coefficient, logD

3.398

Water Solubility, LogSw

-3.35

Polar Surface Area

57.573

Acid Dissociation Constant (pKa)

10.85

Base Dissociation Constant (pKb)

-0.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.70

C791-0461 in Drug Discovery

Included in Screening Libraries

Serine Proteases Inhibitors Library (32732 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with C791-0461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C791-0461?
Check Price and Availability of C791-0461, 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 C791-0461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C791-0461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C791-0461
  • 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 C791-0461 available by request