C734-0558 Screening compound: 2-(diethylamino)ethyl 4-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

C734-0558 Screening compound: 2-(diethylamino)ethyl 4-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate
C734-0558 Screening compound: 2-(diethylamino)ethyl 4-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0558
2-(diethylamino)ethyl 4-(2-{1H,4H-chromeno[4,3-c]pyrazol-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

C734-0558

Molecular Formula

C25H28N4O4 (C25 H28 N4 O4)

Compound Name

2-(diethylamino)ethyl 4-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzoate

IUPAC name

2-(diethylamino)ethyl 4-(2-{1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)benzoate

SMILES

CCN(CC)CCOC(c(cc1)ccc1NC(Cn1ncc2c1-c(cccc1)c1OC2)=O)=O

InChI

InChI=1S/C25H28N4O4/c1-3-28(4-2)13-14-32-25(31)18-9-11-20(12-10-18)27-23(30)16-29-24-19(15-26-29)17-33-22-8-6-5-7-21(22)24/h5-12,15H,3-4,13-14,16-17H2,1-2H3,(H,27,30)

InChI Key

RVNCBKSQNUHFIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789667

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.664

Distribution Coefficient, logD

2.696

Water Solubility, LogSw

-3.59

Polar Surface Area

69.515

Acid Dissociation Constant (pKa)

11.04

Base Dissociation Constant (pKb)

8.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

32.00

C734-0558 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Anti-HIV1 Library (19540 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Endocrine
  • Antiviral
  • Infections
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C734-0558 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0558?
Check Price and Availability of C734-0558, 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 C734-0558 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0558
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0558
  • 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 C734-0558 available by request