F091-0878 Screening compound: [4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

F091-0878 Screening compound: [4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone
F091-0878 Screening compound: [4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound F091-0878
[4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

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

F091-0878

Molecular Formula

C19H17N3O4S (C19 H17 N3 O4 S)

Compound Name

[4-amino-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1,3-thiazol-5-yl](4-methoxyphenyl)methanone

IUPAC name

N2-(23-dihydro-14-benzodioxin-6-yl)-5-(4-methoxybenzoyl)-13-thiazole-24-diamine

SMILES

COc(cc1)ccc1C(c1c(N)nc(Nc(cc2)cc3c2OCCO3)s1)=O

InChI

InChI=1S/C19H17N3O4S/c1-24-13-5-2-11(3-6-13)16(23)17-18(20)22-19(27-17)21-12-4-7-14-15(10-12)26-9-8-25-14/h2-7,10H,8-9,20H2,1H3,(H,21,22)

InChI Key

XSPPQSZANKZTKU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27101327

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.43

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.136

Distribution Coefficient, logD

3.136

Water Solubility, LogSw

-3.58

Polar Surface Area

76.728

Acid Dissociation Constant (pKa)

17.53

Base Dissociation Constant (pKb)

2.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.79

F091-0878 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antimitotic Tubulin Library (17355 compounds)

Protein Kinases Inhibitors Library (36801 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Nervous system
  • Hemic and lymphatic
  • Cardiovascular
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with F091-0878 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F091-0878?
Check Price and Availability of F091-0878, 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 F091-0878 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F091-0878
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F091-0878
  • 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 F091-0878 available by request