8016-7848 Screening compound: 6,7-dimethoxy-1-(4-methoxyphenyl)-N~2~-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide

8016-7848 Screening compound: 6,7-dimethoxy-1-(4-methoxyphenyl)-N~2~-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide
8016-7848 Screening compound: 6,7-dimethoxy-1-(4-methoxyphenyl)-N~2~-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8016-7848
6,7-dimethoxy-1-(4-methoxyphenyl)-N~2~-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide

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

8016-7848

Molecular Formula

C25H26N2O3S (C25 H26 N2 O3 S)

Compound Name

6,7-dimethoxy-1-(4-methoxyphenyl)-N~2~-phenyl-3,4-dihydro-2(1H)-isoquinolinecarbothioamide

IUPAC name

67-dimethoxy-1-(4-methoxyphenyl)-N-phenyl-1234-tetrahydroisoquinoline-2-carbothioamide

SMILES

COc1ccc(C(c(cc2OC)c(CC3)cc2OC)N3C(Nc2ccccc2)=S)cc1

InChI

InChI=1S/C25H26N2O3S/c1-28-20-11-9-17(10-12-20)24-21-16-23(30-3)22(29-2)15-18(21)13-14-27(24)25(31)26-19-7-5-4-6-8-19/h4-12,15-16,24H,13-14H2,1-3H3,(H,26,31)/t24-/m0/s1

InChI Key

PTXNJDNFUSTBJV-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD05826379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

434.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.832

Distribution Coefficient, logD

4.832

Water Solubility, LogSw

-4.56

Polar Surface Area

32.916

Acid Dissociation Constant (pKa)

15.53

Base Dissociation Constant (pKb)

-2.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

24.00

8016-7848 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 8016-7848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8016-7848?
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What is the minimum amount of 8016-7848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8016-7848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8016-7848
  • 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 8016-7848 available by request