E955-2391 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

E955-2391 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate
E955-2391 Screening compound: tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2391
tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]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

E955-2391

Molecular Formula

C31H38N4O5 (C31 H38 N4 O5)

Compound Name

tert-butyl 4-[1-(2,4-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

IUPAC name

tert-butyl 4-[1-(24-dimethylphenyl)-4-{[4-(ethoxycarbonyl)phenyl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCOC(c(cc1)ccc1NC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c2c(C)cc(C)cc2)nc1)=O)=O

InChI

InChI=1S/C31H38N4O5/c1-7-39-29(37)23-9-11-24(12-10-23)33-28(36)25-19-32-35(26-13-8-20(2)18-21(26)3)27(25)22-14-16-34(17-15-22)30(38)40-31(4,5)6/h8-13,18-19,22H,7,14-17H2,1-6H3,(H,33,36)

InChI Key

FIPMBJVSPSOKQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

546.67

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

7.651

Distribution Coefficient, logD

7.649

Water Solubility, LogSw

-5.44

Polar Surface Area

78.687

Acid Dissociation Constant (pKa)

9.78

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

41.90

E955-2391 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

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 E955-2391 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2391?
Check Price and Availability of E955-2391, 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 E955-2391 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2391
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2391
  • 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 E955-2391 available by request