D048-0308 Screening compound: 3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

D048-0308 Screening compound: 3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide
D048-0308 Screening compound: 3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D048-0308
3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-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

D048-0308

Molecular Formula

C17H16N2O2S (C17 H16 N2 O2 S)

Compound Name

3-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

IUPAC name

3-methyl-N-(4567-tetrahydro-13-benzothiazol-2-yl)-1-benzofuran-2-carboxamide

SMILES

Cc1c(C(Nc2nc(CCCC3)c3s2)=O)oc2c1cccc2

InChI

InChI=1S/C17H16N2O2S/c1-10-11-6-2-4-8-13(11)21-15(10)16(20)19-17-18-12-7-3-5-9-14(12)22-17/h2,4,6,8H,3,5,7,9H2,1H3,(H,18,19,20)

InChI Key

DJYWZQSUYFNGIL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04721165

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

312.39

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.981

Distribution Coefficient, logD

3.885

Water Solubility, LogSw

-4.72

Polar Surface Area

43.323

Acid Dissociation Constant (pKa)

6.34

Base Dissociation Constant (pKb)

4.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D048-0308 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

GPCR Targeted Library (31838 compounds)

Ion Channels Focused Library (26372 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Nervous system
  • Cardiovascular
Targets:
  • Kinases
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with D048-0308 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D048-0308?
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What is the minimum amount of D048-0308 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D048-0308
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D048-0308
  • 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 D048-0308 available by request