3473-2902 Screening compound: ethyl 2-({[4-(dimethylamino)phenyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

3473-2902 Screening compound: ethyl 2-({[4-(dimethylamino)phenyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
3473-2902 Screening compound: ethyl 2-({[4-(dimethylamino)phenyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3473-2902
ethyl 2-({[4-(dimethylamino)phenyl]methyl}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

3473-2902

Molecular Formula

C20H26N2O2S (C20 H26 N2 O2 S)

Compound Name

ethyl 2-({[4-(dimethylamino)phenyl]methyl}amino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-({[4-(dimethylamino)phenyl]methyl}amino)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NCc(cc2)ccc2N(C)C)sc2c1CCCC2)=O

InChI

InChI=1S/C20H26N2O2S/c1-4-24-20(23)18-16-7-5-6-8-17(16)25-19(18)21-13-14-9-11-15(12-10-14)22(2)3/h9-12,21H,4-8,13H2,1-3H3

InChI Key

UIEPPOHANDTPKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00376491

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.5

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.450

Distribution Coefficient, logD

4.435

Water Solubility, LogSw

-4.38

Polar Surface Area

33.746

Acid Dissociation Constant (pKa)

13.39

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

3473-2902 in Drug Discovery

Included in Screening Libraries

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 3473-2902 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3473-2902?
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What is the minimum amount of 3473-2902 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3473-2902
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3473-2902
  • 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 3473-2902 available by request