6078-0177 Screening compound: 7-bromobenzo[de]thiochromen-3-yl acetate

6078-0177 Screening compound: 7-bromobenzo[de]thiochromen-3-yl acetate
6078-0177 Screening compound: 7-bromobenzo[de]thiochromen-3-yl acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6078-0177
7-bromobenzo[de]thiochromen-3-yl acetate

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

6078-0177

Molecular Formula

C14H9BrO2S (C14 H9 BrO2 S)

Compound Name

7-bromobenzo[de]thiochromen-3-yl acetate

IUPAC name

10-bromo-2-thiatricyclo[7.3.1.0^{513}]trideca-1(13)357911-hexaen-4-yl acetate

SMILES

CC(OC(c1c2c3ccc1)=CSc2ccc3Br)=O

InChI

InChI=1S/C14H9BrO2S/c1-8(16)17-12-7-18-13-6-5-11(15)9-3-2-4-10(12)14(9)13/h2-7H,1H3

InChI Key

BATSBRXGKSDIDO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04213698

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

321.19

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

4.369

Distribution Coefficient, logD

4.369

Water Solubility, LogSw

-4.81

Polar Surface Area

20.533

Acid Dissociation Constant (pKa)

22.67

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

7.10

6078-0177 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 6078-0177 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6078-0177?
Check Price and Availability of 6078-0177, 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 6078-0177 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6078-0177
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6078-0177
  • 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 6078-0177 available by request