3988-0464 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-chlorophenol

3988-0464 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-chlorophenol
3988-0464 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-chlorophenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0464
2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}-4-chlorophenol

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

3988-0464

Molecular Formula

C18H20ClN3O (C18 H20 ClN3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(NCc(cc(cc2)Cl)c2O)nc2c1cccc2

InChI

InChI=1S/C18H20ClN3O/c1-2-3-10-22-16-7-5-4-6-15(16)21-18(22)20-12-13-11-14(19)8-9-17(13)23/h4-9,11,23H,2-3,10,12H2,1H3,(H,20,21)

InChI Key

ZWQBXELJPZSMPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02920555

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.83

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.926

Distribution Coefficient, logD

4.899

Water Solubility, LogSw

-4.54

Polar Surface Area

39.107

Acid Dissociation Constant (pKa)

10.19

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3988-0464 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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 3988-0464 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0464?
Check Price and Availability of 3988-0464, 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 3988-0464 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0464
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0464
  • 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 3988-0464 available by request