D041-0069 Screening compound: 2-(4-bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole

D041-0069 Screening compound: 2-(4-bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole
D041-0069 Screening compound: 2-(4-bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound D041-0069
2-(4-bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole

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

D041-0069

Molecular Formula

C16H11BrN2S (C16 H11 BrN2 S)

Compound Name

2-(4-bromophenyl)-7-methylimidazo[2,1-b][1,3]benzothiazole

IUPAC name

4-(4-bromophenyl)-10-methyl-7-thia-25-diazatricyclo[6.4.0.0^{26}]dodeca-1(8)35911-pentaene

SMILES

Cc(cc1)cc(s2)c1n1c2nc(-c(cc2)ccc2Br)c1

InChI

InChI=1S/C16H11BrN2S/c1-10-2-7-14-15(8-10)20-16-18-13(9-19(14)16)11-3-5-12(17)6-4-11/h2-9H,1H3

InChI Key

WPJHTVSOCQCNBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00741891

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.25

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.660

Distribution Coefficient, logD

5.619

Water Solubility, LogSw

-5.48

Polar Surface Area

8.945

Acid Dissociation Constant (pKa)

28.02

Base Dissociation Constant (pKb)

6.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.30

D041-0069 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Targeted Diversity Library (40567 compounds)

New Agro Library (44492 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with D041-0069 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D041-0069?
Check Price and Availability of D041-0069, 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 D041-0069 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D041-0069
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D041-0069
  • 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 D041-0069 available by request