7111-0158 Screening compound: 1-butyl-N-{[4-(dimethylamino)phenyl]methyl}-1H-1,3-benzodiazol-2-amine

7111-0158 Screening compound: 1-butyl-N-{[4-(dimethylamino)phenyl]methyl}-1H-1,3-benzodiazol-2-amine
7111-0158 Screening compound: 1-butyl-N-{[4-(dimethylamino)phenyl]methyl}-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 7111-0158
1-butyl-N-{[4-(dimethylamino)phenyl]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

7111-0158

Molecular Formula

C20H26N4 (C20 H26 N4)

Compound Name

1-butyl-N-{[4-(dimethylamino)phenyl]methyl}-1H-1,3-benzodiazol-2-amine

IUPAC name

1-butyl-N-{[4-(dimethylamino)phenyl]methyl}-1H-13-benzodiazol-2-amine

SMILES

CCCCn1c(NCc(cc2)ccc2N(C)C)nc2c1cccc2

InChI

InChI=1S/C20H26N4/c1-4-5-14-24-19-9-7-6-8-18(19)22-20(24)21-15-16-10-12-17(13-11-16)23(2)3/h6-13H,4-5,14-15H2,1-3H3,(H,21,22)

InChI Key

WMUHAWPSGIZNDB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD05994009

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.45

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.640

Distribution Coefficient, logD

4.606

Water Solubility, LogSw

-4.09

Polar Surface Area

25.364

Acid Dissociation Constant (pKa)

20.27

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

35.00

7111-0158 in Drug Discovery

Included in Screening Libraries

CNS targets activity set (6557 compounds)

Human Receptors Annotated Library (5376 compounds)

Nucleic Acid Ligands (8311 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Cancer
  • Musculoskeletal
  • Nervous system
  • Hemic and lymphatic
  • Immune system

References: we are preparing a list of scientific research reports with 7111-0158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7111-0158?
Check Price and Availability of 7111-0158, 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 7111-0158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7111-0158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7111-0158
  • 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 7111-0158 available by request