E751-4736 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

E751-4736 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide
E751-4736 Screening compound: N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-4736
N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

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

E751-4736

Molecular Formula

C22H17FN4O3 (C22 H17 FN4 O3)

Compound Name

N-(2H-1,3-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

IUPAC name

N-(2H-13-benzodioxol-5-yl)-1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carboxamide

SMILES

Cc(c(C(Nc(cc1)cc2c1OCO2)=O)c1-n2cccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C22H17FN4O3/c1-14-20(21(28)24-16-6-9-18-19(12-16)30-13-29-18)22(26-10-2-3-11-26)27(25-14)17-7-4-15(23)5-8-17/h2-12H,13H2,1H3,(H,24,28)

InChI Key

XOYLUTULUJRYNR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915707

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

404.4

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.132

Distribution Coefficient, logD

4.132

Water Solubility, LogSw

-4.43

Polar Surface Area

57.655

Acid Dissociation Constant (pKa)

11.32

Base Dissociation Constant (pKb)

-1.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.10

E751-4736 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

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

SH2 Library (10483 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E751-4736 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-4736?
Check Price and Availability of E751-4736, 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 E751-4736 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-4736
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-4736
  • 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 E751-4736 available by request