E751-3909 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine

E751-3909 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine
E751-3909 Screening compound: 1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-3909
1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine

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

E751-3909

Molecular Formula

C28H29N5O3 (C28 H29 N5 O3)

Compound Name

1-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine

IUPAC name

1-[(2H-13-benzodioxol-5-yl)methyl]-4-[3-methyl-1-(4-methylphenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]piperazine

SMILES

Cc(c(C(N1CCN(Cc(cc2)cc3c2OCO3)CC1)=O)c1-n2cccc2)nn1-c1ccc(C)cc1

InChI

InChI=1S/C28H29N5O3/c1-20-5-8-23(9-6-20)33-27(31-11-3-4-12-31)26(21(2)29-33)28(34)32-15-13-30(14-16-32)18-22-7-10-24-25(17-22)36-19-35-24/h3-12,17H,13-16,18-19H2,1-2H3

InChI Key

RQYRWTYDDQSVPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915471

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.029

Distribution Coefficient, logD

3.838

Water Solubility, LogSw

-4.06

Polar Surface Area

54.752

Acid Dissociation Constant (pKa)

27.53

Base Dissociation Constant (pKb)

7.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

E751-3909 in Drug Discovery

Included in Screening Libraries

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

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E751-3909 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-3909?
Check Price and Availability of E751-3909, 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 E751-3909 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-3909
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-3909
  • 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 E751-3909 available by request