7111-0197 Screening compound: 1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

7111-0197 Screening compound: 1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine
7111-0197 Screening compound: 1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7111-0197
1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

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

7111-0197

Molecular Formula

C15H17N3S (C15 H17 N3 S)

Compound Name

1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

IUPAC name

1-(propan-2-yl)-N-[(thiophen-2-yl)methyl]-1H-13-benzodiazol-2-amine

SMILES

CC(C)n1c(NCc2cccs2)nc2c1cccc2

InChI

InChI=1S/C15H17N3S/c1-11(2)18-14-8-4-3-7-13(14)17-15(18)16-10-12-6-5-9-19-12/h3-9,11H,10H2,1-2H3,(H,16,17)

InChI Key

MQDQLAQFPNOFQK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05240086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

271.39

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.900

Distribution Coefficient, logD

3.870

Water Solubility, LogSw

-4.01

Polar Surface Area

24.674

Acid Dissociation Constant (pKa)

20.65

Base Dissociation Constant (pKb)

6.25

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

7111-0197 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

CNS BBB Library (22607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Ion Channels Focused Library (26372 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Nervous system
  • Nervous system
  • Cardiovascular
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Ion Channels
  • Phosphatases

References: we are preparing a list of scientific research reports with 7111-0197 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7111-0197?
Check Price and Availability of 7111-0197, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 7111-0197 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7111-0197
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7111-0197
  • 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 7111-0197 available by request