E632-2255 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate

E632-2255 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate
E632-2255 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-2255
ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-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

E632-2255

Molecular Formula

C25H31N3O3 (C25 H31 N3 O3)

Compound Name

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

IUPAC name

ethyl 2-({3-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)benzoate

SMILES

CCOC(c(cccc1)c1NC(N1CC(CN(CC2)Cc3c2cccc3)CCC1)=O)=O

InChI

InChI=1S/C25H31N3O3/c1-2-31-24(29)22-11-5-6-12-23(22)26-25(30)28-14-7-8-19(17-28)16-27-15-13-20-9-3-4-10-21(20)18-27/h3-6,9-12,19H,2,7-8,13-18H2,1H3,(H,26,30)/t19-/m1/s1

InChI Key

WYKSEOCUVNJMSC-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14905758

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.54

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

4.699

Distribution Coefficient, logD

4.377

Water Solubility, LogSw

-4.38

Polar Surface Area

49.091

Acid Dissociation Constant (pKa)

10.12

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.00

E632-2255 in Drug Discovery

Included in Screening Libraries

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

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E632-2255 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-2255?
Check Price and Availability of E632-2255, 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 E632-2255 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-2255
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-2255
  • 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 E632-2255 available by request