3988-0462 Screening compound: 4-chloro-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

3988-0462 Screening compound: 4-chloro-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol
3988-0462 Screening compound: 4-chloro-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0462
4-chloro-2-{[(1-ethyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

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

3988-0462

Molecular Formula

C16H16ClN3O (C16 H16 ClN3 O)

Compound Name

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

IUPAC name

n/a

SMILES

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

InChI

InChI=1S/C16H16ClN3O/c1-2-20-14-6-4-3-5-13(14)19-16(20)18-10-11-9-12(17)7-8-15(11)21/h3-9,21H,2,10H2,1H3,(H,18,19)

InChI Key

UOPZITBUCPJPRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921200

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

301.78

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

4.050

Distribution Coefficient, logD

3.949

Water Solubility, LogSw

-4.03

Polar Surface Area

38.853

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.80

3988-0462 in Drug Discovery

Included in Screening Libraries

Nucleic Acid Ligands (8311 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 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
  • Nervous system
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 3988-0462 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0462?
Check Price and Availability of 3988-0462, 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 3988-0462 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0462
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0462
  • 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 3988-0462 available by request