6738-0121 Screening compound: 1-butyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine

6738-0121 Screening compound: 1-butyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine
6738-0121 Screening compound: 1-butyl-N-[(thiophen-2-yl)methyl]-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 6738-0121
1-butyl-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

6738-0121

Molecular Formula

C16H19N3S (C16 H19 N3 S)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(NCc2cccs2)nc2c1cccc2

InChI

InChI=1S/C16H19N3S/c1-2-3-10-19-15-9-5-4-8-14(15)18-16(19)17-12-13-7-6-11-20-13/h4-9,11H,2-3,10,12H2,1H3,(H,17,18)

InChI Key

BESPFRYHFMIDRL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04031005

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.41

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.525

Distribution Coefficient, logD

4.465

Water Solubility, LogSw

-3.99

Polar Surface Area

23.577

Acid Dissociation Constant (pKa)

20.20

Base Dissociation Constant (pKb)

6.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.30

6738-0121 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS BBB Library (22607 compounds)

CNS targets activity set (6557 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 6738-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6738-0121?
Check Price and Availability of 6738-0121, 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 6738-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6738-0121
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6738-0121
  • 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 6738-0121 available by request