E632-2271 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

E632-2271 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide
E632-2271 Screening compound: N-(4-bromo-2-fluorophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-2271
N-(4-bromo-2-fluorophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

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

E632-2271

Molecular Formula

C22H25BrFN3O (C22 H25 BrFN3 O)

Compound Name

N-(4-bromo-2-fluorophenyl)-3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carboxamide

IUPAC name

n/a

SMILES

O=C(Nc(ccc(Br)c1)c1F)N1CC(CN(CC2)Cc3c2cccc3)CCC1

InChI

InChI=1S/C22H25BrFN3O/c23-19-7-8-21(20(24)12-19)25-22(28)27-10-3-4-16(14-27)13-26-11-9-17-5-1-2-6-18(17)15-26/h1-2,5-8,12,16H,3-4,9-11,13-15H2,(H,25,28)/t16-/m1/s1

InChI Key

YOPOOEGBWJHABX-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD14905768

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.36

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.111

Distribution Coefficient, logD

4.789

Water Solubility, LogSw

-5.36

Polar Surface Area

28.338

Acid Dissociation Constant (pKa)

10.34

Base Dissociation Constant (pKb)

7.44

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

E632-2271 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Agro:
  • Agro

References: we are preparing a list of scientific research reports with E632-2271 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-2271?
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What is the minimum amount of E632-2271 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-2271
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-2271
  • 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 E632-2271 available by request