G801-0197 Screening compound: 1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

G801-0197 Screening compound: 1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one
G801-0197 Screening compound: 1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound G801-0197
1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

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

G801-0197

Molecular Formula

C18H19N3O3S (C18 H19 N3 O3 S)

Compound Name

1,3-dimethyl-5-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)-2,3-dihydro-1H-1,3-benzodiazol-2-one

IUPAC name

13-dimethyl-5-(1234-tetrahydroisoquinoline-2-sulfonyl)-23-dihydro-1H-13-benzodiazol-2-one

SMILES

CN(c(ccc(S(N(CC1)Cc2c1cccc2)(=O)=O)c1)c1N1C)C1=O

InChI

InChI=1S/C18H19N3O3S/c1-19-16-8-7-15(11-17(16)20(2)18(19)22)25(23,24)21-10-9-13-5-3-4-6-14(13)12-21/h3-8,11H,9-10,12H2,1-2H3

InChI Key

WAADQKPMWKLMHM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08847387

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.43

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.935

Distribution Coefficient, logD

2.935

Water Solubility, LogSw

-3.61

Polar Surface Area

49.296

Acid Dissociation Constant (pKa)

25.79

Base Dissociation Constant (pKb)

-3.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

G801-0197 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Hsp90-Targeted Library (11355 compounds)

Protein-Protein Interaction Library (218420 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Immune system
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with G801-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound G801-0197?
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What is the minimum amount of G801-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for G801-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for G801-0197
  • 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 G801-0197 available by request