6370-0486 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide

6370-0486 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide
6370-0486 Screening compound: N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 6370-0486
N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide

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

6370-0486

Molecular Formula

C19H22N2O3S (C19 H22 N2 O3 S)

Compound Name

N-(5,5-dimethyl-7-oxo-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-2-phenoxybutanamide

IUPAC name

N-(55-dimethyl-7-oxo-4567-tetrahydro-13-benzothiazol-2-yl)-2-phenoxybutanamide

SMILES

CCC(C(Nc1nc(CC(C)(C)CC2=O)c2s1)=O)Oc1ccccc1

InChI

InChI=1S/C19H22N2O3S/c1-4-15(24-12-8-6-5-7-9-12)17(23)21-18-20-13-10-19(2,3)11-14(22)16(13)25-18/h5-9,15H,4,10-11H2,1-3H3,(H,20,21,23)/t15-/m0/s1

InChI Key

BSUXGZTXJWZSKT-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD03929536

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

358.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.281

Distribution Coefficient, logD

3.805

Water Solubility, LogSw

-4.27

Polar Surface Area

54.718

Acid Dissociation Constant (pKa)

7.10

Base Dissociation Constant (pKb)

-2.98

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.10

6370-0486 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

New Agro Library (44492 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 6370-0486 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6370-0486?
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What is the minimum amount of 6370-0486 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6370-0486
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6370-0486
  • 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 6370-0486 available by request