Y031-0592 Screening compound: 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide

Y031-0592 Screening compound: 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide
Y031-0592 Screening compound: 2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0592
2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide

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

Y031-0592

Molecular Formula

C14H18N2OS (C14 H18 N2 OS)

Compound Name

2-methyl-N-(4-methyl-1,3-benzothiazol-2-yl)pentanamide

IUPAC name

2-methyl-N-(4-methyl-13-benzothiazol-2-yl)pentanamide

SMILES

CCCC(C)C(Nc1nc(c(C)ccc2)c2s1)=O

InChI

InChI=1S/C14H18N2OS/c1-4-6-10(3)13(17)16-14-15-12-9(2)7-5-8-11(12)18-14/h5,7-8,10H,4,6H2,1-3H3,(H,15,16,17)/t10-/m0/s1

InChI Key

ZVLGIXGCBGFWSG-JTQLQIEISA-N

MDL Number (MFCD)

MFCD05996899

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.38

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

4.482

Distribution Coefficient, logD

4.481

Water Solubility, LogSw

-4.22

Polar Surface Area

34.133

Acid Dissociation Constant (pKa)

10.51

Base Dissociation Constant (pKb)

1.13

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

Y031-0592 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y031-0592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0592?
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What is the minimum amount of Y031-0592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0592
  • 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 Y031-0592 available by request