C734-0554 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

C734-0554 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide
C734-0554 Screening compound: N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0554
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

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

C734-0554

Molecular Formula

C25H29N5O2 (C25 H29 N5 O2)

Compound Name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamide

IUPAC name

N-[2-(4-benzylpiperazin-1-yl)ethyl]-2-{1H4H-chromeno[43-c]pyrazol-1-yl}acetamide

SMILES

O=C(Cn1ncc2c1-c(cccc1)c1OC2)NCCN1CCN(Cc2ccccc2)CC1

InChI

InChI=1S/C25H29N5O2/c31-24(18-30-25-21(16-27-30)19-32-23-9-5-4-8-22(23)25)26-10-11-28-12-14-29(15-13-28)17-20-6-2-1-3-7-20/h1-9,16H,10-15,17-19H2,(H,26,31)

InChI Key

YIUQVGGTDXSAIS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789663

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

431.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.647

Distribution Coefficient, logD

1.503

Water Solubility, LogSw

-2.39

Polar Surface Area

53.743

Acid Dissociation Constant (pKa)

14.01

Base Dissociation Constant (pKb)

6.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

36.00

C734-0554 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

GPCR Targeted Library (31838 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Immune system
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C734-0554 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0554?
Check Price and Availability of C734-0554, 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 C734-0554 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0554
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0554
  • 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 C734-0554 available by request