4789-3233 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide

4789-3233 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide
4789-3233 Screening compound: N-(1,3-benzothiazol-2-yl)-4-(4-methoxyphenoxy)butanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 4789-3233
N-(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

4789-3233

Molecular Formula

C18H18N2O3S (C18 H18 N2 O3 S)

Compound Name

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

IUPAC name

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

SMILES

COc(cc1)ccc1OCCCC(Nc1nc(cccc2)c2s1)=O

InChI

InChI=1S/C18H18N2O3S/c1-22-13-8-10-14(11-9-13)23-12-4-7-17(21)20-18-19-15-5-2-3-6-16(15)24-18/h2-3,5-6,8-11H,4,7,12H2,1H3,(H,19,20,21)

InChI Key

KESUNNRHYMSOLI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02967525

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

342.42

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.044

Distribution Coefficient, logD

4.044

Water Solubility, LogSw

-4.10

Polar Surface Area

47.839

Acid Dissociation Constant (pKa)

11.13

Base Dissociation Constant (pKb)

3.59

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

4789-3233 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • 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 4789-3233 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4789-3233?
Check Price and Availability of 4789-3233, 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 4789-3233 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4789-3233
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4789-3233
  • 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 4789-3233 available by request