8012-3861 Screening compound: N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea

8012-3861 Screening compound: N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea
8012-3861 Screening compound: N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-3861
N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea

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

8012-3861

Molecular Formula

C19H20N6O (C19 H20 N6 O)

Compound Name

N,N'-bis[3-(4,5-dihydro-1H-imidazol-2-yl)phenyl]urea

IUPAC name

13-bis[3-(45-dihydro-1H-imidazol-2-yl)phenyl]urea

SMILES

O=C(Nc1cc(C2=NCCN2)ccc1)Nc1cc(C2=NCCN2)ccc1

InChI

InChI=1S/C19H20N6O/c26-19(24-15-5-1-3-13(11-15)17-20-7-8-21-17)25-16-6-2-4-14(12-16)18-22-9-10-23-18/h1-6,11-12H,7-10H2,(H,20,21)(H,22,23)(H2,24,25,26)

InChI Key

SCEVFJUWLLRELN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00693581

Chemical and Physical Properties

Saltdata

2HCl

Molecular Weight

348.41

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

4.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.174

Distribution Coefficient, logD

0.248

Water Solubility, LogSw

-3.25

Polar Surface Area

76.772

Acid Dissociation Constant (pKa)

13.78

Base Dissociation Constant (pKb)

10.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

8012-3861 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8012-3861 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-3861?
Check Price and Availability of 8012-3861, 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 8012-3861 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-3861
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-3861
  • 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 8012-3861 available by request