C881-0420 Screening compound: ethyl 4-[2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamido]benzoate

C881-0420 Screening compound: ethyl 4-[2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamido]benzoate
C881-0420 Screening compound: ethyl 4-[2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C881-0420
ethyl 4-[2-(4,5,6,7-tetrahydro-2H-indazol-2-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

C881-0420

Molecular Formula

C18H21N3O3 (C18 H21 N3 O3)

Compound Name

ethyl 4-[2-(4,5,6,7-tetrahydro-2H-indazol-2-yl)acetamido]benzoate

IUPAC name

ethyl 4-[2-(4567-tetrahydro-2H-indazol-2-yl)acetamido]benzoate

SMILES

CCOC(c(cc1)ccc1NC(Cn1nc(CCCC2)c2c1)=O)=O

InChI

InChI=1S/C18H21N3O3/c1-2-24-18(23)13-7-9-15(10-8-13)19-17(22)12-21-11-14-5-3-4-6-16(14)20-21/h7-11H,2-6,12H2,1H3,(H,19,22)

InChI Key

HOOUCEPTVGJKMO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14804377

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.38

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

3.256

Distribution Coefficient, logD

3.255

Water Solubility, LogSw

-3.12

Polar Surface Area

59.845

Acid Dissociation Constant (pKa)

10.99

Base Dissociation Constant (pKb)

1.17

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

C881-0420 in Drug Discovery

Included in Screening Libraries

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

Immunological Library (6760 compounds)

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Digestive system
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Immune system
Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds
Targets:
  • Others

References: we are preparing a list of scientific research reports with C881-0420 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C881-0420?
Check Price and Availability of C881-0420, 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 C881-0420 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C881-0420
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C881-0420
  • 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 C881-0420 available by request