C734-0552 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[(2,5-dimethoxyphenyl)methyl]acetamide

C734-0552 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[(2,5-dimethoxyphenyl)methyl]acetamide
C734-0552 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[(2,5-dimethoxyphenyl)methyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0552
2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[(2,5-dimethoxyphenyl)methyl]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

C734-0552

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-[(2,5-dimethoxyphenyl)methyl]acetamide

IUPAC name

2-{1H4H-chromeno[43-c]pyrazol-1-yl}-N-[(25-dimethoxyphenyl)methyl]acetamide

SMILES

COc(cc1)cc(CNC(Cn2ncc3c2-c(cccc2)c2OC3)=O)c1OC

InChI

InChI=1S/C21H21N3O4/c1-26-16-7-8-18(27-2)14(9-16)10-22-20(25)12-24-21-15(11-23-24)13-28-19-6-4-3-5-17(19)21/h3-9,11H,10,12-13H2,1-2H3,(H,22,25)

InChI Key

IUWFVPDIOMQQAK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789661

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.522

Distribution Coefficient, logD

2.522

Water Solubility, LogSw

-2.93

Polar Surface Area

61.552

Acid Dissociation Constant (pKa)

13.72

Base Dissociation Constant (pKb)

-0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C734-0552 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Immune system
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C734-0552 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0552?
Check Price and Availability of C734-0552, 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 C734-0552 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0552
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0552
  • 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 C734-0552 available by request