8755-0138 Screening compound: 2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine

8755-0138 Screening compound: 2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine
8755-0138 Screening compound: 2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0138
2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine

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

8755-0138

Molecular Formula

C15H19N3S (C15 H19 N3 S)

Compound Name

2,3,4,7,8,9,10,11-octahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(1H)-imine

IUPAC name

18-thia-29-diazatetracyclo[9.7.0.0^{39}.0^{1217}]octadeca-1(11)212(17)-trien-10-imine

SMILES

N=C1N(CCCCC2)C2=Nc2c1c(CCCC1)c1s2

InChI

InChI=1S/C15H19N3S/c16-14-13-10-6-3-4-7-11(10)19-15(13)17-12-8-2-1-5-9-18(12)14/h16H,1-9H2

InChI Key

XPQWMGWXYPBSTH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00470004

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

273.4

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

3.101

Distribution Coefficient, logD

-2.457

Water Solubility, LogSw

-3.20

Polar Surface Area

30.238

Acid Dissociation Constant (pKa)

21.99

Base Dissociation Constant (pKb)

12.96

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

8755-0138 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

Targeted Diversity Library (40567 compounds)

Akt-Targeted Library (14764 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8755-0138 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0138?
Check Price and Availability of 8755-0138, 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 8755-0138 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0138
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0138
  • 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 8755-0138 available by request