E955-1223 Screening compound: tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

E955-1223 Screening compound: tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate
E955-1223 Screening compound: tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-1223
tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-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

E955-1223

Molecular Formula

C24H33N5O6 (C24 H33 N5 O6)

Compound Name

tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{4-[(3-methoxypropyl)carbamoyl]-1-(4-nitrophenyl)-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c(cc1)ccc1[N+]([O-])=O)nc1)c1C(NCCCOC)=O)=O

InChI

InChI=1S/C24H33N5O6/c1-24(2,3)35-23(31)27-13-10-17(11-14-27)21-20(22(30)25-12-5-15-34-4)16-26-28(21)18-6-8-19(9-7-18)29(32)33/h6-9,16-17H,5,10-15H2,1-4H3,(H,25,30)

InChI Key

QHSWWSDPOCSFJT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931383

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

487.56

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

12.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

4.531

Distribution Coefficient, logD

4.531

Water Solubility, LogSw

-4.12

Polar Surface Area

101.393

Acid Dissociation Constant (pKa)

14.47

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

54.20

References: we are preparing a list of scientific research reports with E955-1223 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-1223?
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What is the minimum amount of E955-1223 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-1223
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-1223
  • 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 E955-1223 available by request