S008-0012 Screening compound: isopropyl N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

S008-0012 Screening compound: isopropyl N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate
S008-0012 Screening compound: isopropyl N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0012
isopropyl N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

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

S008-0012

Molecular Formula

C18H20N2O2 (C18 H20 N2 O2)

Compound Name

isopropyl N-(10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate

IUPAC name

propan-2-yl N-{2-azatricyclo[9.4.0.0^{38}]pentadeca-1(11)3(8)461214-hexaen-5-yl}carbamate

SMILES

CC(C)OC(Nc1cc(Nc2c(CC3)cccc2)c3cc1)=O

InChI

InChI=1S/C18H20N2O2/c1-12(2)22-18(21)19-15-10-9-14-8-7-13-5-3-4-6-16(13)20-17(14)11-15/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)

InChI Key

YJXOMYBLVRMVSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00560891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

296.37

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.336

Distribution Coefficient, logD

5.336

Water Solubility, LogSw

-5.29

Polar Surface Area

42.776

Acid Dissociation Constant (pKa)

13.30

Base Dissociation Constant (pKb)

1.04

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.80

S008-0012 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

DGK Inhibitors Library (10558 compounds)

Eccentric PPI Library (11937 compounds)

KRAS-Targeted Library (16000 compounds)

Protein-Protein Interaction Library (218420 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Targets:
  • Kinases
  • Kinases
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with S008-0012 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0012?
Check Price and Availability of S008-0012, 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 S008-0012 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0012
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0012
  • 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 S008-0012 available by request