C734-0468 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(2,4-dimethoxyphenyl)-N-methylacetamide

C734-0468 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(2,4-dimethoxyphenyl)-N-methylacetamide
C734-0468 Screening compound: 2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(2,4-dimethoxyphenyl)-N-methylacetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0468
2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}-N-(2,4-dimethoxyphenyl)-N-methylacetamide

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

C734-0468

Molecular Formula

C21H21N3O4 (C21 H21 N3 O4)

Compound Name

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

IUPAC name

2-{1H4H-chromeno[43-c]pyrazol-1-yl}-N-(24-dimethoxyphenyl)-N-methylacetamide

SMILES

CN(C(Cn1ncc2c1-c(cccc1)c1OC2)=O)c(ccc(OC)c1)c1OC

InChI

InChI=1S/C21H21N3O4/c1-23(17-9-8-15(26-2)10-19(17)27-3)20(25)12-24-21-14(11-22-24)13-28-18-7-5-4-6-16(18)21/h4-11H,12-13H2,1-3H3

InChI Key

XBGASNUAUXGTED-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789601

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.473

Distribution Coefficient, logD

2.473

Water Solubility, LogSw

-2.87

Polar Surface Area

51.893

Acid Dissociation Constant (pKa)

20.72

Base Dissociation Constant (pKb)

0.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

C734-0468 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • Receptor's ligands
Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with C734-0468 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0468?
Check Price and Availability of C734-0468, 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 C734-0468 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0468
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0468
  • 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 C734-0468 available by request