8018-5485 Screening compound: 3,4-dimethoxy-N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)benzamide

8018-5485 Screening compound: 3,4-dimethoxy-N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)benzamide
8018-5485 Screening compound: 3,4-dimethoxy-N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-5485
3,4-dimethoxy-N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)benzamide

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

8018-5485

Molecular Formula

C18H21NO3S (C18 H21 NO3 S)

Compound Name

3,4-dimethoxy-N~1~-(4,5,6,7-tetrahydro-1-benzothiophen-3-ylmethyl)benzamide

IUPAC name

34-dimethoxy-N-[(4567-tetrahydro-1-benzothiophen-3-yl)methyl]benzamide

SMILES

COc(ccc(C(NCc1csc2c1CCCC2)=O)c1)c1OC

InChI

InChI=1S/C18H21NO3S/c1-21-15-8-7-12(9-16(15)22-2)18(20)19-10-13-11-23-17-6-4-3-5-14(13)17/h7-9,11H,3-6,10H2,1-2H3,(H,19,20)

InChI Key

UUZOLGWDZDCSLS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07800443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.44

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.434

Distribution Coefficient, logD

3.434

Water Solubility, LogSw

-3.77

Polar Surface Area

40.852

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-3.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.89

8018-5485 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8018-5485 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-5485?
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What is the minimum amount of 8018-5485 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-5485
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-5485
  • 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 8018-5485 available by request