4587-0326 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)aniline

4587-0326 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)aniline
4587-0326 Screening compound: 4-(1-butyl-1H-1,3-benzodiazol-2-yl)aniline alternative view

Chemical Structure Depiction of ChemDiv screening compound 4587-0326
4-(1-butyl-1H-1,3-benzodiazol-2-yl)aniline

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

4587-0326

Molecular Formula

C17H19N3 (C17 H19 N3)

Compound Name

4-(1-butyl-1H-1,3-benzodiazol-2-yl)aniline

IUPAC name

4-(1-butyl-1H-13-benzodiazol-2-yl)aniline

SMILES

CCCCn1c(-c(cc2)ccc2N)nc2c1cccc2

InChI

InChI=1S/C17H19N3/c1-2-3-12-20-16-7-5-4-6-15(16)19-17(20)13-8-10-14(18)11-9-13/h4-11H,2-3,12,18H2,1H3

InChI Key

PCPBTVBODXPTIR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02271229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

265.36

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.061

Distribution Coefficient, logD

4.060

Water Solubility, LogSw

-4.14

Polar Surface Area

30.951

Acid Dissociation Constant (pKa)

22.84

Base Dissociation Constant (pKb)

4.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 4587-0326 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4587-0326?
Check Price and Availability of 4587-0326, 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 4587-0326 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4587-0326
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4587-0326
  • 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 4587-0326 available by request