S008-0081 Screening compound: N-{5-[2-(dimethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}urea

S008-0081 Screening compound: N-{5-[2-(dimethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}urea
S008-0081 Screening compound: N-{5-[2-(dimethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}urea alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0081
N-{5-[2-(dimethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}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

S008-0081

Molecular Formula

C19H22N4O2 (C19 H22 N4 O2)

Compound Name

N-{5-[2-(dimethylamino)acetyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}urea

IUPAC name

{2-[2-(dimethylamino)acetyl]-2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}urea

SMILES

CN(C)CC(N(c1c(CC2)cccc1)c1c2ccc(NC(N)=O)c1)=O

InChI

InChI=1S/C19H22N4O2/c1-22(2)12-18(24)23-16-6-4-3-5-13(16)7-8-14-9-10-15(11-17(14)23)21-19(20)25/h3-6,9-11H,7-8,12H2,1-2H3,(H3,20,21,25)

InChI Key

FLEPBVQWQYFDIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00561759

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

338.41

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.177

Distribution Coefficient, logD

2.144

Water Solubility, LogSw

-2.98

Polar Surface Area

61.893

Acid Dissociation Constant (pKa)

14.57

Base Dissociation Constant (pKb)

6.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.32

S008-0081 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Library (67538 compounds)

DGK Inhibitors Library (10558 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Recognition Elements PPI Library (24135 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Nervous system
Targets:
  • Kinases
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with S008-0081 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0081?
Check Price and Availability of S008-0081, 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 S008-0081 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0081
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0081
  • 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 S008-0081 available by request