1682-7848 Screening compound: 3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-phenylurea

1682-7848 Screening compound: 3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-phenylurea
1682-7848 Screening compound: 3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-phenylurea alternative view

Chemical Structure Depiction of ChemDiv screening compound 1682-7848
3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-phenylurea

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

1682-7848

Molecular Formula

C16H16N4O (C16 H16 N4 O)

Compound Name

3-[2-(1H-1,3-benzodiazol-2-yl)ethyl]-1-phenylurea

IUPAC name

3-[2-(1H-13-benzodiazol-2-yl)ethyl]-1-phenylurea

SMILES

O=C(NCCc1nc(cccc2)c2[nH]1)Nc1ccccc1

InChI

InChI=1S/C16H16N4O/c21-16(18-12-6-2-1-3-7-12)17-11-10-15-19-13-8-4-5-9-14(13)20-15/h1-9H,10-11H2,(H,19,20)(H2,17,18,21)

InChI Key

DNLYTMAXKPDDDM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00709808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

280.33

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.749

Distribution Coefficient, logD

2.743

Water Solubility, LogSw

-3.22

Polar Surface Area

53.987

Acid Dissociation Constant (pKa)

13.46

Base Dissociation Constant (pKb)

5.54

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

1682-7848 in Drug Discovery

Included in Screening Libraries

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

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with 1682-7848 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1682-7848?
Check Price and Availability of 1682-7848, 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 1682-7848 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1682-7848
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1682-7848
  • 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 1682-7848 available by request