6456-0424 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

6456-0424 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline
6456-0424 Screening compound: 2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0424
2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

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

6456-0424

Molecular Formula

C19H17N3S3 (C19 H17 N3 S3)

Compound Name

2-{[(1,3-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-4,6,7-trimethylquinazoline

IUPAC name

2-{[(13-benzothiazol-2-ylsulfanyl)methyl]sulfanyl}-467-trimethylquinazoline

SMILES

Cc(cc1c(C)n2)c(C)cc1nc2SCSc1nc(cccc2)c2s1

InChI

InChI=1S/C19H17N3S3/c1-11-8-14-13(3)20-18(21-16(14)9-12(11)2)23-10-24-19-22-15-6-4-5-7-17(15)25-19/h4-9H,10H2,1-3H3

InChI Key

RRCZINNKGKRIRX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03904188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.56

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.728

Distribution Coefficient, logD

6.728

Water Solubility, LogSw

-5.97

Polar Surface Area

26.633

Acid Dissociation Constant (pKa)

21.36

Base Dissociation Constant (pKb)

2.64

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.10

6456-0424 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 6456-0424 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0424?
Check Price and Availability of 6456-0424, 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 6456-0424 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0424
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0424
  • 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 6456-0424 available by request