8007-4695 Screening compound: 1-(3-bromophenyl)-3-(1,4-thiazinan-4-yl)dihydro-1H-pyrrole-2,5-dione

8007-4695 Screening compound: 1-(3-bromophenyl)-3-(1,4-thiazinan-4-yl)dihydro-1H-pyrrole-2,5-dione
8007-4695 Screening compound: 1-(3-bromophenyl)-3-(1,4-thiazinan-4-yl)dihydro-1H-pyrrole-2,5-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-4695
1-(3-bromophenyl)-3-(1,4-thiazinan-4-yl)dihydro-1H-pyrrole-2,5-dione

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

8007-4695

Molecular Formula

C14H15BrN2O2S (C14 H15 BrN2 O2 S)

Compound Name

1-(3-bromophenyl)-3-(1,4-thiazinan-4-yl)dihydro-1H-pyrrole-2,5-dione

IUPAC name

1-(3-bromophenyl)-3-(thiomorpholin-4-yl)pyrrolidine-25-dione

SMILES

O=C(CC(C1=O)N2CCSCC2)N1c1cccc(Br)c1

InChI

InChI=1S/C14H15BrN2O2S/c15-10-2-1-3-11(8-10)17-13(18)9-12(14(17)19)16-4-6-20-7-5-16/h1-3,8,12H,4-7,9H2/t12-/m1/s1

InChI Key

XIBMPLRXDCXXOC-GFCCVEGCSA-N

MDL Number (MFCD)

MFCD01036465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

355.26

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.460

Distribution Coefficient, logD

1.460

Water Solubility, LogSw

-2.22

Polar Surface Area

31.988

Acid Dissociation Constant (pKa)

16.60

Base Dissociation Constant (pKb)

2.29

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.86

8007-4695 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Antiparasite Library (23996 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8007-4695 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-4695?
Check Price and Availability of 8007-4695, 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 8007-4695 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-4695
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-4695
  • 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 8007-4695 available by request