E955-2189 Screening compound: tert-butyl 4-(1-(3-chloro-2-methylphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate

E955-2189 Screening compound: tert-butyl 4-(1-(3-chloro-2-methylphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate
E955-2189 Screening compound: tert-butyl 4-(1-(3-chloro-2-methylphenyl)-4-{[4-(2-pyridyl)piperazino]carbonyl}-1H-pyrazol-5-yl)tetrahydro-1(2H)-pyridinecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E955-2189
tert-butyl 4-(1-(3-chloro-2-methylphenyl)-4-{[4-(2-pyridyl)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

E955-2189

Molecular Formula

C30H37ClN6O3 (C30 H37 ClN6 O3)

Compound Name

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

IUPAC name

tert-butyl 4-[1-(3-chloro-2-methylphenyl)-4-[4-(pyridin-2-yl)piperazine-1-carbonyl]-1H-pyrazol-5-yl]piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(-c1cccc(Cl)c1C)nc1)c1C(N(CC1)CCN1c1ncccc1)=O)=O

InChI

InChI=1S/C30H37ClN6O3/c1-21-24(31)8-7-9-25(21)37-27(22-11-14-36(15-12-22)29(39)40-30(2,3)4)23(20-33-37)28(38)35-18-16-34(17-19-35)26-10-5-6-13-32-26/h5-10,13,20,22H,11-12,14-19H2,1-4H3

InChI Key

QTXPPOQCHSSQMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14931689

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

565.12

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

6.507

Distribution Coefficient, logD

6.498

Water Solubility, LogSw

-6.04

Polar Surface Area

63.262

Acid Dissociation Constant (pKa)

21.63

Base Dissociation Constant (pKb)

5.71

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.67

References: we are preparing a list of scientific research reports with E955-2189 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E955-2189?
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What is the minimum amount of E955-2189 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E955-2189
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E955-2189
  • 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 E955-2189 available by request