E751-4945 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

E751-4945 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine
E751-4945 Screening compound: 1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-4945
1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]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

E751-4945

Molecular Formula

C26H23F4N5O (C26 H23 F4 N5 O)

Compound Name

1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

IUPAC name

1-[1-(4-fluorophenyl)-3-methyl-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-4-[3-(trifluoromethyl)phenyl]piperazine

SMILES

Cc(c(C(N(CC1)CCN1c1cc(C(F)(F)F)ccc1)=O)c1-n2cccc2)nn1-c(cc1)ccc1F

InChI

InChI=1S/C26H23F4N5O/c1-18-23(24(33-11-2-3-12-33)35(31-18)21-9-7-20(27)8-10-21)25(36)34-15-13-32(14-16-34)22-6-4-5-19(17-22)26(28,29)30/h2-12,17H,13-16H2,1H3

InChI Key

XTEIGVSYMYDHTF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915831

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

497.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.884

Distribution Coefficient, logD

4.884

Water Solubility, LogSw

-4.83

Polar Surface Area

37.357

Acid Dissociation Constant (pKa)

27.64

Base Dissociation Constant (pKb)

5.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

E751-4945 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 E751-4945 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-4945?
Check Price and Availability of E751-4945, 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 E751-4945 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-4945
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-4945
  • 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 E751-4945 available by request