3988-0435 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol

3988-0435 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol
3988-0435 Screening compound: 2-{[(1-butyl-1H-1,3-benzodiazol-2-yl)amino]methyl}phenol alternative view

Chemical Structure Depiction of ChemDiv screening compound 3988-0435
2-{[(1-butyl-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

3988-0435

Molecular Formula

C18H21N3O (C18 H21 N3 O)

Compound Name

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

IUPAC name

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

SMILES

CCCCn1c(NCc(cccc2)c2O)nc2c1cccc2

InChI

InChI=1S/C18H21N3O/c1-2-3-12-21-16-10-6-5-9-15(16)20-18(21)19-13-14-8-4-7-11-17(14)22/h4-11,22H,2-3,12-13H2,1H3,(H,19,20)

InChI Key

SERVSPLCWYKOOP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02921086

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.38

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

4.384

Distribution Coefficient, logD

4.358

Water Solubility, LogSw

-3.59

Polar Surface Area

39.107

Acid Dissociation Constant (pKa)

10.53

Base Dissociation Constant (pKb)

6.20

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

3988-0435 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 3988-0435 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3988-0435?
Check Price and Availability of 3988-0435, 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 3988-0435 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3988-0435
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3988-0435
  • 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 3988-0435 available by request