E632-0228 Screening compound: ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

E632-0228 Screening compound: ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate
E632-0228 Screening compound: ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0228
ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

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

E632-0228

Molecular Formula

C20H29N3O3 (C20 H29 N3 O3)

Compound Name

ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

ethyl 4-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CCOC(c(cc1)ccc1NC(N1CCC(CN2CCCC2)CC1)=O)=O

InChI

InChI=1S/C20H29N3O3/c1-2-26-19(24)17-5-7-18(8-6-17)21-20(25)23-13-9-16(10-14-23)15-22-11-3-4-12-22/h5-8,16H,2-4,9-15H2,1H3,(H,21,25)

InChI Key

XURSEEUETRHASV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905643

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

359.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.261

Distribution Coefficient, logD

-0.253

Water Solubility, LogSw

-3.32

Polar Surface Area

50.560

Acid Dissociation Constant (pKa)

12.34

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

E632-0228 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with E632-0228 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0228?
Check Price and Availability of E632-0228, 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 E632-0228 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0228
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0228
  • 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 E632-0228 available by request