E632-0238 Screening compound: methyl 4-chloro-2-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

E632-0238 Screening compound: methyl 4-chloro-2-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate
E632-0238 Screening compound: methyl 4-chloro-2-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0238
methyl 4-chloro-2-({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

E632-0238

Molecular Formula

C19H26ClN3O3 (C19 H26 ClN3 O3)

Compound Name

methyl 4-chloro-2-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

IUPAC name

methyl 4-chloro-2-({4-[(pyrrolidin-1-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

COC(c(ccc(Cl)c1)c1NC(N1CCC(CN2CCCC2)CC1)=O)=O

InChI

InChI=1S/C19H26ClN3O3/c1-26-18(24)16-5-4-15(20)12-17(16)21-19(25)23-10-6-14(7-11-23)13-22-8-2-3-9-22/h4-5,12,14H,2-3,6-11,13H2,1H3,(H,21,25)

InChI Key

KMTWPGYATDRDPB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905653

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.89

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.275

Distribution Coefficient, logD

-0.239

Water Solubility, LogSw

-3.72

Polar Surface Area

50.282

Acid Dissociation Constant (pKa)

8.24

Base Dissociation Constant (pKb)

10.91

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.90

E632-0238 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels
Agro:
  • Agro

References: we are preparing a list of scientific research reports with E632-0238 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0238?
Check Price and Availability of E632-0238, 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 E632-0238 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0238
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0238
  • 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 E632-0238 available by request