E632-0299 Screening compound: ethyl 2-[4-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate

E632-0299 Screening compound: ethyl 2-[4-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate
E632-0299 Screening compound: ethyl 2-[4-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-0299
ethyl 2-[4-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate

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

E632-0299

Molecular Formula

C26H33N3O3 (C26 H33 N3 O3)

Compound Name

ethyl 2-[4-({4-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate

IUPAC name

ethyl 2-[4-({4-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)phenyl]acetate

SMILES

CCOC(Cc(cc1)ccc1NC(N1CCC(CN(CC2)Cc3c2cccc3)CC1)=O)=O

InChI

InChI=1S/C26H33N3O3/c1-2-32-25(30)17-20-7-9-24(10-8-20)27-26(31)29-15-11-21(12-16-29)18-28-14-13-22-5-3-4-6-23(22)19-28/h3-10,21H,2,11-19H2,1H3,(H,27,31)

InChI Key

CWSLCIZEHQSGJW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14905693

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

435.57

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.106

Distribution Coefficient, logD

2.495

Water Solubility, LogSw

-4.01

Polar Surface Area

49.261

Acid Dissociation Constant (pKa)

14.16

Base Dissociation Constant (pKb)

9.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

46.20

E632-0299 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E632-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-0299?
Check Price and Availability of E632-0299, 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 E632-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-0299
  • 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 E632-0299 available by request