8005-9210 Screening compound: 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate

8005-9210 Screening compound: 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate
8005-9210 Screening compound: 2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-9210
2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate

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

8005-9210

Molecular Formula

C13H13Br2NO3S2 (C13 H13 Br2 NO3 S2)

Compound Name

2-(3,5-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate

IUPAC name

2-(35-dibromo-2-hydroxyphenyl)-2-oxoethyl morpholine-4-carbodithioate

SMILES

Oc(c(C(CSC(N1CCOCC1)=S)=O)cc(Br)c1)c1Br

InChI

InChI=1S/C13H13Br2NO3S2/c14-8-5-9(12(18)10(15)6-8)11(17)7-21-13(20)16-1-3-19-4-2-16/h5-6,18H,1-4,7H2

InChI Key

JVFWXNWQJFZJRD-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00822859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

455.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.779

Distribution Coefficient, logD

3.444

Water Solubility, LogSw

-3.84

Polar Surface Area

39.693

Acid Dissociation Constant (pKa)

7.33

Base Dissociation Constant (pKb)

-1.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.50

8005-9210 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 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

Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8005-9210 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-9210?
Check Price and Availability of 8005-9210, 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 8005-9210 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-9210
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-9210
  • 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 8005-9210 available by request