8018-2057 Screening compound: 6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1,3-benzothiazole

8018-2057 Screening compound: 6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1,3-benzothiazole
8018-2057 Screening compound: 6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1,3-benzothiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-2057
6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-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

8018-2057

Molecular Formula

C12H11N3OS2 (C12 H11 N3 OS2)

Compound Name

6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-1,3-benzothiazole

IUPAC name

6-methoxy-2-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-13-benzothiazole

SMILES

Cn1c(Sc2nc(ccc(OC)c3)c3s2)ncc1

InChI

InChI=1S/C12H11N3OS2/c1-15-6-5-13-11(15)18-12-14-9-4-3-8(16-2)7-10(9)17-12/h3-7H,1-2H3

InChI Key

UJWZPGNEAHNSOH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07657278

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

277.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.197

Distribution Coefficient, logD

3.188

Water Solubility, LogSw

-3.34

Polar Surface Area

29.511

Acid Dissociation Constant (pKa)

27.11

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

8018-2057 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8018-2057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-2057?
Check Price and Availability of 8018-2057, 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 8018-2057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-2057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-2057
  • 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 8018-2057 available by request