1770-0104 Screening compound: diethyl({2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethyl})amine

1770-0104 Screening compound: diethyl({2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethyl})amine
1770-0104 Screening compound: diethyl({2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethyl})amine alternative view

Chemical Structure Depiction of ChemDiv screening compound 1770-0104
diethyl({2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethyl})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

1770-0104

Molecular Formula

C21H28N4O (C21 H28 N4 O)

Compound Name

diethyl({2-[2-imino-3-(2-phenoxyethyl)-2,3-dihydro-1H-1,3-benzodiazol-1-yl]ethyl})amine

IUPAC name

diethyl({2-[2-imino-3-(2-phenoxyethyl)-23-dihydro-1H-13-benzodiazol-1-yl]ethyl})amine

SMILES

CCN(CC)CCN(c(cccc1)c1N1CCOc2ccccc2)C1=N

InChI

InChI=1S/C21H28N4O/c1-3-23(4-2)14-15-24-19-12-8-9-13-20(19)25(21(24)22)16-17-26-18-10-6-5-7-11-18/h5-13,22H,3-4,14-17H2,1-2H3

InChI Key

BTIJIWSSNPZJRY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01051265

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

352.48

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.997

Distribution Coefficient, logD

1.327

Water Solubility, LogSw

-3.94

Polar Surface Area

32.640

Acid Dissociation Constant (pKa)

29.99

Base Dissociation Constant (pKb)

10.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.10

1770-0104 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiviral Library (67538 compounds)

Cardiovascular Library (22201 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with 1770-0104 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1770-0104?
Check Price and Availability of 1770-0104, 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 1770-0104 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1770-0104
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1770-0104
  • 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 1770-0104 available by request