3346-0708 Screening compound: N-{4H,5H-acenaphthyleno[5,4-d][1,3]thiazol-8-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

3346-0708 Screening compound: N-{4H,5H-acenaphthyleno[5,4-d][1,3]thiazol-8-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide
3346-0708 Screening compound: N-{4H,5H-acenaphthyleno[5,4-d][1,3]thiazol-8-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 3346-0708
N-{4H,5H-acenaphthyleno[5,4-d][1,3]thiazol-8-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

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

3346-0708

Molecular Formula

C22H16N2O3S (C22 H16 N2 O3 S)

Compound Name

N-{4H,5H-acenaphthyleno[5,4-d][1,3]thiazol-8-yl}-2,3-dihydro-1,4-benzodioxine-6-carboxamide

IUPAC name

N-{4H5H-acenaphthyleno[54-d][13]thiazol-8-yl}-23-dihydro-14-benzodioxine-6-carboxamide

SMILES

O=C(c(cc1)cc2c1OCCO2)Nc1nc(c2cccc(CC3)c2c3c2)c2s1

InChI

InChI=1S/C22H16N2O3S/c25-21(14-6-7-16-17(10-14)27-9-8-26-16)24-22-23-20-15-3-1-2-12-4-5-13(19(12)15)11-18(20)28-22/h1-3,6-7,10-11H,4-5,8-9H2,(H,23,24,25)

InChI Key

WUBRQLROPSBGMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420921

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

388.45

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.762

Distribution Coefficient, logD

4.762

Water Solubility, LogSw

-5.38

Polar Surface Area

49.700

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

-0.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.20

3346-0708 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Type II Kinase Inhibitors Library (6956 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Digestive system
  • Hemic and lymphatic
  • Endocrine
Targets:
  • Kinases
  • Kinases

References: we are preparing a list of scientific research reports with 3346-0708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3346-0708?
Check Price and Availability of 3346-0708, 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 3346-0708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3346-0708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3346-0708
  • 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 3346-0708 available by request