E955-2138 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate

E955-2138 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate
E955-2138 Screening compound: tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2138
tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}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

E955-2138

Molecular Formula

C29H40ClN5O5 (C29 H40 ClN5 O5)

Compound Name

tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-({[1-(ethoxycarbonyl)-4-piperidyl]amino}carbonyl)-1H-pyrazol-5-yl]tetrahydro-1(2H)-pyridinecarboxylate

IUPAC name

tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-{[1-(ethoxycarbonyl)piperidin-4-yl]carbamoyl}-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(C(CC2)CCN2C(OC(C)(C)C)=O)n(-c2cccc(Cl)c2C)nc1)=O)=O

InChI

InChI=1S/C29H40ClN5O5/c1-6-39-27(37)33-16-12-21(13-17-33)32-26(36)22-18-31-35(24-9-7-8-23(30)19(24)2)25(22)20-10-14-34(15-11-20)28(38)40-29(3,4)5/h7-9,18,20-21H,6,10-17H2,1-5H3,(H,32,36)

InChI Key

BXIMTAWJNNWSJB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931660

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

574.12

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

6.342

Distribution Coefficient, logD

6.342

Water Solubility, LogSw

-6.06

Polar Surface Area

81.761

Acid Dissociation Constant (pKa)

15.09

Base Dissociation Constant (pKb)

1.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.62

E955-2138 in Drug Discovery

Included in Screening Libraries

Human Proteases Annotated Library (2868 compounds)

Selective Target Activity Profiling Library (14702 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 E955-2138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2138?
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What is the minimum amount of E955-2138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2138
  • 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 E955-2138 available by request