3405-0086 Screening compound: 4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate

3405-0086 Screening compound: 4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate
3405-0086 Screening compound: 4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3405-0086
4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate

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

3405-0086

Molecular Formula

C18H16BrNO3S (C18 H16 BrNO3 S)

Compound Name

4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate

IUPAC name

4-bromo-2-(morpholine-4-carbothioyl)phenyl benzoate

SMILES

O=C(c1ccccc1)Oc(ccc(Br)c1)c1C(N1CCOCC1)=S

InChI

InChI=1S/C18H16BrNO3S/c19-14-6-7-16(23-18(21)13-4-2-1-3-5-13)15(12-14)17(24)20-8-10-22-11-9-20/h1-7,12H,8-11H2

InChI Key

ACVFRZCDKFKNMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01062455

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

406.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.058

Distribution Coefficient, logD

4.058

Water Solubility, LogSw

-4.22

Polar Surface Area

30.560

Acid Dissociation Constant (pKa)

28.94

Base Dissociation Constant (pKb)

-2.88

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

3405-0086 in Drug Discovery

Included in Screening Libraries

PI3K-Targeted Library (17255 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with 3405-0086 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3405-0086?
Check Price and Availability of 3405-0086, 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 3405-0086 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3405-0086
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3405-0086
  • 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 3405-0086 available by request