4789-3242 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide

4789-3242 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
4789-3242 Screening compound: N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3242
N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide

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

4789-3242

Molecular Formula

C19H20N2O4S (C19 H20 N2 O4 S)

Compound Name

N-(6-methoxy-1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide

IUPAC name

N-(6-methoxy-13-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide

SMILES

COc(cc1)ccc1OCCCC(Nc1nc(ccc(OC)c2)c2s1)=O

InChI

InChI=1S/C19H20N2O4S/c1-23-13-5-7-14(8-6-13)25-11-3-4-18(22)21-19-20-16-10-9-15(24-2)12-17(16)26-19/h5-10,12H,3-4,11H2,1-2H3,(H,20,21,22)

InChI Key

XIXRCDRGEKLMME-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967534

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.44

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

4.101

Water Solubility, LogSw

-4.24

Polar Surface Area

55.383

Acid Dissociation Constant (pKa)

11.44

Base Dissociation Constant (pKb)

1.02

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.30

4789-3242 in Drug Discovery

Included in Screening Libraries

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 4789-3242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3242?
Check Price and Availability of 4789-3242, 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 4789-3242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3242
  • 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 4789-3242 available by request