3988-0444 Screening compound: 2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-methylphenol

3988-0444 Screening compound: 2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-methylphenol
3988-0444 Screening compound: 2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-methylphenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0444
2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-methylphenol

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

3988-0444

Molecular Formula

C17H19N3O (C17 H19 N3 O)

Compound Name

2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-methylphenol

IUPAC name

2-{[(1-ethyl-1H-13-benzodiazol-2-yl)amino]methyl}-4-methylphenol

SMILES

CCn1c(NCc(cc(C)cc2)c2O)nc2c1cccc2

InChI

InChI=1S/C17H19N3O/c1-3-20-15-7-5-4-6-14(15)19-17(20)18-11-13-10-12(2)8-9-16(13)21/h4-10,21H,3,11H2,1-2H3,(H,18,19)

InChI Key

APJLAFFWPYZDSD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02736000

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

281.36

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.796

Distribution Coefficient, logD

3.696

Water Solubility, LogSw

-3.44

Polar Surface Area

38.853

Acid Dissociation Constant (pKa)

10.96

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.50

References: we are preparing a list of scientific research reports with 3988-0444 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0444?
Check Price and Availability of 3988-0444, 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 3988-0444 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0444
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0444
  • 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 3988-0444 available by request