6712-0149 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethylphenyl)propan-1-one

6712-0149 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethylphenyl)propan-1-one
6712-0149 Screening compound: 3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethylphenyl)propan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 6712-0149
3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethylphenyl)propan-1-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

6712-0149

Molecular Formula

C18H17NOS (C18 H17 NOS)

Compound Name

3-(1,3-benzothiazol-2-yl)-1-(3,4-dimethylphenyl)propan-1-one

IUPAC name

3-(13-benzothiazol-2-yl)-1-(34-dimethylphenyl)propan-1-one

SMILES

Cc(cc1)c(C)cc1C(CCc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C18H17NOS/c1-12-7-8-14(11-13(12)2)16(20)9-10-18-19-15-5-3-4-6-17(15)21-18/h3-8,11H,9-10H2,1-2H3

InChI Key

MZXSWWASCNHQAW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04321808

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

295.41

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.42

Polar Surface Area

23.430

Acid Dissociation Constant (pKa)

20.45

Base Dissociation Constant (pKb)

-0.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.22

References: we are preparing a list of scientific research reports with 6712-0149 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6712-0149?
Check Price and Availability of 6712-0149, 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 6712-0149 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6712-0149
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6712-0149
  • 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 6712-0149 available by request