E751-4687 Screening compound: N~3~-(2-chloro-4-methylphenyl)-1-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxamide

E751-4687 Screening compound: N~3~-(2-chloro-4-methylphenyl)-1-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxamide
E751-4687 Screening compound: N~3~-(2-chloro-4-methylphenyl)-1-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-4687
N~3~-(2-chloro-4-methylphenyl)-1-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxamide

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

E751-4687

Molecular Formula

C27H25ClFN5O2 (C27 H25 ClFN5 O2)

Compound Name

N~3~-(2-chloro-4-methylphenyl)-1-{[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}-3-piperidinecarboxamide

IUPAC name

n/a

SMILES

Cc(cc1)cc(Cl)c1NC(C(CCC1)CN1C(c1c(-n2cccc2)n(-c(cc2)ccc2F)nc1)=O)=O

InChI

InChI=1S/C27H25ClFN5O2/c1-18-6-11-24(23(28)15-18)31-25(35)19-5-4-14-33(17-19)27(36)22-16-30-34(21-9-7-20(29)8-10-21)26(22)32-12-2-3-13-32/h2-3,6-13,15-16,19H,4-5,14,17H2,1H3,(H,31,35)/t19-/m0/s1

InChI Key

IFTIIIQGOQVEPV-IBGZPJMESA-N

MDL Number (MFCD)

MFCD14915676

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

505.98

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.179

Distribution Coefficient, logD

5.178

Water Solubility, LogSw

-5.41

Polar Surface Area

56.070

Acid Dissociation Constant (pKa)

10.00

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

E751-4687 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

SH2 Library (10483 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Cancer
  • Endocrine
Targets:
  • Others
Mechanism of action:
  • Epigenetic
  • PPI modulators

References: we are preparing a list of scientific research reports with E751-4687 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-4687?
Check Price and Availability of E751-4687, 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 E751-4687 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-4687
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-4687
  • 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 E751-4687 available by request