E751-4418 Screening compound: 8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

E751-4418 Screening compound: 8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane
E751-4418 Screening compound: 8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane alternative view

Chemical Structure Depiction of ChemDiv screening compound E751-4418
8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

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

E751-4418

Molecular Formula

C21H21FN4O3 (C21 H21 FN4 O3)

Compound Name

8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-dioxa-8-azaspiro[4.5]decane

IUPAC name

8-[1-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazole-4-carbonyl]-14-dioxa-8-azaspiro[4.5]decane

SMILES

O=C(c1c(-n2cccc2)n(-c(cc2)ccc2F)nc1)N(CC1)CCC11OCCO1

InChI

InChI=1S/C21H21FN4O3/c22-16-3-5-17(6-4-16)26-19(24-9-1-2-10-24)18(15-23-26)20(27)25-11-7-21(8-12-25)28-13-14-29-21/h1-6,9-10,15H,7-8,11-14H2

InChI Key

VRPJFESRFTZEKS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14915613

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

396.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.814

Distribution Coefficient, logD

2.814

Water Solubility, LogSw

-3.16

Polar Surface Area

48.180

Acid Dissociation Constant (pKa)

27.30

Base Dissociation Constant (pKb)

0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

E751-4418 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with E751-4418 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E751-4418?
Check Price and Availability of E751-4418, 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 E751-4418 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E751-4418
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E751-4418
  • 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 E751-4418 available by request