E751-3235 Screening compound: methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-1,3-benzodioxole-5-carboxylate

E751-3235 Screening compound: methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-1,3-benzodioxole-5-carboxylate
E751-3235 Screening compound: methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-1,3-benzodioxole-5-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-3235
methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-1,3-benzodioxole-5-carboxylate

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

E751-3235

Molecular Formula

C24H20N4O5 (C24 H20 N4 O5)

Compound Name

methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-1,3-benzodioxole-5-carboxylate

IUPAC name

methyl 6-[1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-amido]-2H-13-benzodioxole-5-carboxylate

SMILES

Cc(cc1)ccc1-n1ncc(C(Nc(cc2OCOc2c2)c2C(OC)=O)=O)c1-n1cccc1

InChI

InChI=1S/C24H20N4O5/c1-15-5-7-16(8-6-15)28-23(27-9-3-4-10-27)18(13-25-28)22(29)26-19-12-21-20(32-14-33-21)11-17(19)24(30)31-2/h3-13H,14H2,1-2H3,(H,26,29)

InChI Key

QVIPZEAENVRYSK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915183

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.45

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

4.944

Distribution Coefficient, logD

4.837

Water Solubility, LogSw

-4.42

Polar Surface Area

77.778

Acid Dissociation Constant (pKa)

7.95

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

E751-3235 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Annotated Library (21441 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with E751-3235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-3235?
Check Price and Availability of E751-3235, 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 E751-3235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-3235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-3235
  • 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 E751-3235 available by request