S008-0052 Screening compound: methyl N-{5-[3-(methylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

S008-0052 Screening compound: methyl N-{5-[3-(methylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate
S008-0052 Screening compound: methyl N-{5-[3-(methylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate alternative view

Chemical Structure Depiction of ChemDiv screening compound S008-0052
methyl N-{5-[3-(methylamino)propanoyl]-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

S008-0052

Molecular Formula

C20H23N3O3 (C20 H23 N3 O3)

Compound Name

methyl N-{5-[3-(methylamino)propanoyl]-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl}carbamate

IUPAC name

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

SMILES

CNCCC(N(c1c(CC2)cccc1)c1c2ccc(NC(OC)=O)c1)=O

InChI

InChI=1S/C20H23N3O3/c1-21-12-11-19(24)23-17-6-4-3-5-14(17)7-8-15-9-10-16(13-18(15)23)22-20(25)26-2/h3-6,9-10,13,21H,7-8,11-12H2,1-2H3,(H,22,25)

InChI Key

TZEUGHGLVRMLDW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01551534

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

353.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.029

Distribution Coefficient, logD

1.971

Water Solubility, LogSw

-3.43

Polar Surface Area

57.625

Acid Dissociation Constant (pKa)

12.41

Base Dissociation Constant (pKb)

8.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

S008-0052 in Drug Discovery

Included in Screening Libraries

DGK Inhibitors Library (10558 compounds)

Dark Chemical Matter Library (18430 compounds)

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Hemic and lymphatic
  • Skin
  • Metabolic
  • Immune system
Targets:
  • Kinases
Structure:
  • Pool
  • Cyclic compounds
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with S008-0052 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S008-0052?
Check Price and Availability of S008-0052, 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 S008-0052 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S008-0052
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S008-0052
  • 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 S008-0052 available by request