1771-0034 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,3-benzodiazol-2-amine

1771-0034 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,3-benzodiazol-2-amine
1771-0034 Screening compound: N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,3-benzodiazol-2-amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1771-0034
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,3-benzodiazol-2-amine

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

1771-0034

Molecular Formula

C22H19N3O2 (C22 H19 N3 O2)

Compound Name

N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-benzyl-1H-1,3-benzodiazol-2-amine

IUPAC name

N-[(2H-13-benzodioxol-5-yl)methyl]-1-benzyl-1H-13-benzodiazol-2-amine

SMILES

C(c(cc1)cc2c1OCO2)Nc1nc(cccc2)c2n1Cc1ccccc1

InChI

InChI=1S/C22H19N3O2/c1-2-6-16(7-3-1)14-25-19-9-5-4-8-18(19)24-22(25)23-13-17-10-11-20-21(12-17)27-15-26-20/h1-12H,13-15H2,(H,23,24)

InChI Key

BZCUFKHRUHTPHD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01055065

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.751

Distribution Coefficient, logD

4.653

Water Solubility, LogSw

-4.89

Polar Surface Area

39.425

Acid Dissociation Constant (pKa)

20.82

Base Dissociation Constant (pKb)

6.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.60

1771-0034 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Frequent Hitters Library (7624 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
Targets:
  • Ion Channels

References: we are preparing a list of scientific research reports with 1771-0034 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1771-0034?
Check Price and Availability of 1771-0034, 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 1771-0034 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1771-0034
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1771-0034
  • 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 1771-0034 available by request