E955-0848 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-0848 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-0848 Screening compound: tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-0848
tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

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

E955-0848

Molecular Formula

C31H37F2N5O3 (C31 H37 F2 N5 O3)

Compound Name

tert-butyl 4-[1-(2,4-difluorophenyl)-4-{[2-(1,2,3,4-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-difluorophenyl)-4-{[2-(1234-tetrahydroisoquinolin-2-yl)ethyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(ccc(F)c1)c1F)nc1)c1C(NCCN(CC1)Cc2c1cccc2)=O)=O

InChI

InChI=1S/C31H37F2N5O3/c1-31(2,3)41-30(40)37-15-11-22(12-16-37)28-25(19-35-38(28)27-9-8-24(32)18-26(27)33)29(39)34-13-17-36-14-10-21-6-4-5-7-23(21)20-36/h4-9,18-19,22H,10-17,20H2,1-3H3,(H,34,39)

InChI Key

BQEXTVLURRYBDP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931243

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.66

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

6.024

Distribution Coefficient, logD

5.910

Water Solubility, LogSw

-5.33

Polar Surface Area

62.741

Acid Dissociation Constant (pKa)

12.75

Base Dissociation Constant (pKb)

6.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.20

E955-0848 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with E955-0848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-0848?
Check Price and Availability of E955-0848, 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 E955-0848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-0848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-0848
  • 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 E955-0848 available by request