7074-0064 Screening compound: 3-[(4-butoxy-3-methoxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one

7074-0064 Screening compound: 3-[(4-butoxy-3-methoxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one
7074-0064 Screening compound: 3-[(4-butoxy-3-methoxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 7074-0064
3-[(4-butoxy-3-methoxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-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

7074-0064

Molecular Formula

C19H21NO3S (C19 H21 NO3 S)

Compound Name

3-[(4-butoxy-3-methoxyphenyl)methyl]-2,3-dihydro-1,3-benzothiazol-2-one

IUPAC name

3-[(4-butoxy-3-methoxyphenyl)methyl]-23-dihydro-13-benzothiazol-2-one

SMILES

CCCCOc(ccc(CN(c(cccc1)c1S1)C1=O)c1)c1OC

InChI

InChI=1S/C19H21NO3S/c1-3-4-11-23-16-10-9-14(12-17(16)22-2)13-20-15-7-5-6-8-18(15)24-19(20)21/h5-10,12H,3-4,11,13H2,1-2H3

InChI Key

GEEHLPRUBVMJGB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06405082

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

343.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.760

Distribution Coefficient, logD

4.760

Water Solubility, LogSw

-4.48

Polar Surface Area

30.946

Acid Dissociation Constant (pKa)

26.39

Base Dissociation Constant (pKb)

-2.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

31.60

7074-0064 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 7074-0064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7074-0064?
Check Price and Availability of 7074-0064, 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 7074-0064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7074-0064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7074-0064
  • 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 7074-0064 available by request