8755-0120 Screening compound: 3-bromo-4-hydroxy-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one

8755-0120 Screening compound: 3-bromo-4-hydroxy-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one
8755-0120 Screening compound: 3-bromo-4-hydroxy-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8755-0120
3-bromo-4-hydroxy-8,9,10,11-tetrahydro[1]benzothieno[2',3':4,5]pyrimido[1,2-a]azepin-13(7H)-one

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

8755-0120

Molecular Formula

C15H13BrN2O2S (C15 H13 BrN2 O2 S)

Compound Name

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

IUPAC name

15-bromo-16-hydroxy-18-thia-29-diazatetracyclo[9.7.0.0^{39}.0^{1217}]octadeca-1(11)212(17)1315-pentaen-10-one

SMILES

Oc(c1c(cc2)c(C(N(CCCCC3)C3=N3)=O)c3s1)c2Br

InChI

InChI=1S/C15H13BrN2O2S/c16-9-6-5-8-11-14(21-13(8)12(9)19)17-10-4-2-1-3-7-18(10)15(11)20/h5-6,19H,1-4,7H2

InChI Key

RQMWBTWRTLMLKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00416963

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.25

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

0.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.812

Distribution Coefficient, logD

2.430

Water Solubility, LogSw

-4.19

Polar Surface Area

41.830

Acid Dissociation Constant (pKa)

6.04

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

8755-0120 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antiviral Annotated Library (21441 compounds)

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

Human Receptors Annotated Library (5376 compounds)

Human Transcription Factors Annotated Library (5098 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8755-0120 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8755-0120?
Check Price and Availability of 8755-0120, 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 8755-0120 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8755-0120
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8755-0120
  • 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 8755-0120 available by request