8009-4294 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide

8009-4294 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide
8009-4294 Screening compound: N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-4294
N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide

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

8009-4294

Molecular Formula

C12H10Br2N2OS (C12 H10 Br2 N2 OS)

Compound Name

N-(1,3-benzothiazol-2-yl)-2,2-dibromo-1-methylcyclopropane-1-carboxamide

IUPAC name

N-(13-benzothiazol-2-yl)-22-dibromo-1-methylcyclopropane-1-carboxamide

SMILES

CC(C1)(C1(Br)Br)C(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C12H10Br2N2OS/c1-11(6-12(11,13)14)9(17)16-10-15-7-4-2-3-5-8(7)18-10/h2-5H,6H2,1H3,(H,15,16,17)/t11-/m1/s1

InChI Key

BQUFNWKWHJFATH-LLVKDONJSA-N

MDL Number (MFCD)

MFCD01069330

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

390.1

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.486

Distribution Coefficient, logD

4.486

Water Solubility, LogSw

-4.26

Polar Surface Area

33.614

Acid Dissociation Constant (pKa)

11.08

Base Dissociation Constant (pKb)

3.91

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

8009-4294 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

Human Receptors Annotated Library (5376 compounds)

Selective Target Activity Profiling Library (14702 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with 8009-4294 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-4294?
Check Price and Availability of 8009-4294, 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 8009-4294 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-4294
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-4294
  • 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 8009-4294 available by request