E955-0793 Screening compound: tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate

E955-0793 Screening compound: tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate
E955-0793 Screening compound: tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0793
tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate

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

E955-0793

Molecular Formula

C29H33F2N5O5 (C29 H33 F2 N5 O5)

Compound Name

tert-butyl 4-(1-(2,4-difluorophenyl)-4-{[4-(2-furylcarbonyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

n/a

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(ccc(F)c1)c1F)nc1)c1C(N(CC1)CCN1C(c1ccco1)=O)=O)=O

InChI

InChI=1S/C29H33F2N5O5/c1-29(2,3)41-28(39)35-10-8-19(9-11-35)25-21(18-32-36(25)23-7-6-20(30)17-22(23)31)26(37)33-12-14-34(15-13-33)27(38)24-5-4-16-40-24/h4-7,16-19H,8-15H2,1-3H3

InChI Key

WSWPIEMIURGOBO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931211

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

569.61

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

4.362

Distribution Coefficient, logD

4.362

Water Solubility, LogSw

-4.23

Polar Surface Area

76.525

Acid Dissociation Constant (pKa)

21.78

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

44.83

E955-0793 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with E955-0793 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0793?
Check Price and Availability of E955-0793, 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 E955-0793 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0793
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0793
  • 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 E955-0793 available by request