C734-0569 Screening compound: 1,3-dimethyl 5-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzene-1,3-dicarboxylate

C734-0569 Screening compound: 1,3-dimethyl 5-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzene-1,3-dicarboxylate
C734-0569 Screening compound: 1,3-dimethyl 5-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzene-1,3-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound C734-0569
1,3-dimethyl 5-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzene-1,3-dicarboxylate

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

C734-0569

Molecular Formula

C22H19N3O6 (C22 H19 N3 O6)

Compound Name

1,3-dimethyl 5-(2-{1H,4H-chromeno[4,3-c]pyrazol-1-yl}acetamido)benzene-1,3-dicarboxylate

IUPAC name

13-dimethyl 5-(2-{1H4H-chromeno[43-c]pyrazol-1-yl}acetamido)benzene-13-dicarboxylate

SMILES

COC(c1cc(C(OC)=O)cc(NC(Cn2ncc3c2-c(cccc2)c2OC3)=O)c1)=O

InChI

InChI=1S/C22H19N3O6/c1-29-21(27)13-7-14(22(28)30-2)9-16(8-13)24-19(26)11-25-20-15(10-23-25)12-31-18-6-4-3-5-17(18)20/h3-10H,11-12H2,1-2H3,(H,24,26)

InChI Key

MVWGJBZECQSDEI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14789674

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.41

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.233

Distribution Coefficient, logD

3.233

Water Solubility, LogSw

-3.42

Polar Surface Area

87.404

Acid Dissociation Constant (pKa)

11.58

Base Dissociation Constant (pKb)

-3.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

C734-0569 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Protein-Protein Interaction Library (218420 compounds)

SH2 Library (10483 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with C734-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C734-0569?
Check Price and Availability of C734-0569, 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 C734-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C734-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C734-0569
  • 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 C734-0569 available by request