8012-7811 Screening compound: 2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

8012-7811 Screening compound: 2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one
8012-7811 Screening compound: 2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-7811
2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-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

8012-7811

Molecular Formula

C18H13BrN2O3S (C18 H13 BrN2 O3 S)

Compound Name

2-(1-acetyl-5-bromo-2-oxo-2,3-dihydro-1H-indol-3-yl)-3,4-dihydro-2H-1,4-benzothiazin-3-one

IUPAC name

2-(1-acetyl-5-bromo-2-oxo-23-dihydro-1H-indol-3-yl)-34-dihydro-2H-14-benzothiazin-3-one

SMILES

CC(N(C(C1C2Sc(cccc3)c3NC2=O)=O)c(cc2)c1cc2Br)=O

InChI

InChI=1S/C18H13BrN2O3S/c1-9(22)21-13-7-6-10(19)8-11(13)15(18(21)24)16-17(23)20-12-4-2-3-5-14(12)25-16/h2-8,15-16H,1H3,(H,20,23)

InChI Key

MRTUYFPDSFAJKX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03308156

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

417.28

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.357

Distribution Coefficient, logD

2.352

Water Solubility, LogSw

-3.01

Polar Surface Area

53.637

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

-2.63

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

16.67

8012-7811 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

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

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro
  • Agro

References: we are preparing a list of scientific research reports with 8012-7811 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-7811?
Check Price and Availability of 8012-7811, 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 8012-7811 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-7811
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-7811
  • 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 8012-7811 available by request