E951-1201 Screening compound: tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

E951-1201 Screening compound: tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate
E951-1201 Screening compound: tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E951-1201
tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-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

E951-1201

Molecular Formula

C26H36N4O3 (C26 H36 N4 O3)

Compound Name

tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

IUPAC name

tert-butyl 4-{1-methyl-4-[3-(4-methylphenyl)pyrrolidine-1-carbonyl]-1H-pyrazol-5-yl}piperidine-1-carboxylate

SMILES

CC(C)(C)OC(N(CC1)CCC1c(n(C)nc1)c1C(N(CC1)CC1c1ccc(C)cc1)=O)=O

InChI

InChI=1S/C26H36N4O3/c1-18-6-8-19(9-7-18)21-12-15-30(17-21)24(31)22-16-27-28(5)23(22)20-10-13-29(14-11-20)25(32)33-26(2,3)4/h6-9,16,20-21H,10-15,17H2,1-5H3/t21-/m1/s1

InChI Key

ZYDBMMFUUQCHJQ-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD14930603

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

452.6

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.089

Distribution Coefficient, logD

5.089

Water Solubility, LogSw

-4.72

Polar Surface Area

52.241

Acid Dissociation Constant (pKa)

23.01

Base Dissociation Constant (pKb)

2.67

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

57.70

E951-1201 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E951-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E951-1201?
Check Price and Availability of E951-1201, 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 E951-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E951-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E951-1201
  • 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 E951-1201 available by request