E632-2298 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

E632-2298 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
E632-2298 Screening compound: ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound E632-2298
ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

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

E632-2298

Molecular Formula

C27H35N3O3S (C27 H35 N3 O3 S)

Compound Name

ethyl 2-({3-[(1,2,3,4-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-({3-[(1234-tetrahydroisoquinolin-2-yl)methyl]piperidine-1-carbonyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(N2CC(CN(CC3)Cc4c3cccc4)CCC2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C27H35N3O3S/c1-2-33-26(31)24-22-11-5-6-12-23(22)34-25(24)28-27(32)30-14-7-8-19(17-30)16-29-15-13-20-9-3-4-10-21(20)18-29/h3-4,9-10,19H,2,5-8,11-18H2,1H3,(H,28,32)/t19-/m1/s1

InChI Key

BMUSBBAXQRVKBE-LJQANCHMSA-N

MDL Number (MFCD)

MFCD14905784

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

481.66

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

5.372

Distribution Coefficient, logD

5.372

Water Solubility, LogSw

-5.45

Polar Surface Area

49.504

Acid Dissociation Constant (pKa)

6.58

Base Dissociation Constant (pKb)

7.57

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

55.60

E632-2298 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 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:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Nervous system
Targets:
  • Kinases
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with E632-2298 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E632-2298?
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What is the minimum amount of E632-2298 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E632-2298
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E632-2298
  • 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 E632-2298 available by request