6143-0187 Screening compound: N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

6143-0187 Screening compound: N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
6143-0187 Screening compound: N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6143-0187
N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-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

6143-0187

Molecular Formula

C22H22N2O4S2 (C22 H22 N2 O4 S2)

Compound Name

N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

IUPAC name

N-[(4-methoxyphenyl)methyl]-2-(thiophene-2-sulfonyl)-1234-tetrahydroisoquinoline-3-carboxamide

SMILES

COc1ccc(CNC(C(Cc2c(C3)cccc2)N3S(c2cccs2)(=O)=O)=O)cc1

InChI

InChI=1S/C22H22N2O4S2/c1-28-19-10-8-16(9-11-19)14-23-22(25)20-13-17-5-2-3-6-18(17)15-24(20)30(26,27)21-7-4-12-29-21/h2-12,20H,13-15H2,1H3,(H,23,25)/t20-/m0/s1

InChI Key

OWBAIJHXJULMDF-FQEVSTJZSA-N

MDL Number (MFCD)

MFCD03785876

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.56

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.549

Distribution Coefficient, logD

3.549

Water Solubility, LogSw

-3.61

Polar Surface Area

65.058

Acid Dissociation Constant (pKa)

11.99

Base Dissociation Constant (pKb)

-4.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.70

6143-0187 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6143-0187 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6143-0187?
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What is the minimum amount of 6143-0187 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6143-0187
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6143-0187
  • 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 6143-0187 available by request