Y031-0628 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide

Y031-0628 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide
Y031-0628 Screening compound: N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y031-0628
N-(4-methyl-1,3-benzothiazol-2-yl)-3-phenylbutanamide

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

Y031-0628

Molecular Formula

C18H18N2OS (C18 H18 N2 OS)

Compound Name

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

IUPAC name

N-(4-methyl-13-benzothiazol-2-yl)-3-phenylbutanamide

SMILES

CC(CC(Nc1nc(c(C)ccc2)c2s1)=O)c1ccccc1

InChI

InChI=1S/C18H18N2OS/c1-12-7-6-10-15-17(12)20-18(22-15)19-16(21)11-13(2)14-8-4-3-5-9-14/h3-10,13H,11H2,1-2H3,(H,19,20,21)/t13-/m0/s1

InChI Key

PROXNNGAFLJTPV-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD04559124

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

310.42

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

5.252

Distribution Coefficient, logD

5.251

Water Solubility, LogSw

-5.09

Polar Surface Area

33.648

Acid Dissociation Constant (pKa)

10.15

Base Dissociation Constant (pKb)

0.86

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

22.20

Y031-0628 in Drug Discovery

Included in Screening Libraries

Anti-Aging Library (44940 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Mechanism of action:
  • Epigenetic
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y031-0628 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y031-0628?
Check Price and Availability of Y031-0628, 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 Y031-0628 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y031-0628
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y031-0628
  • 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 Y031-0628 available by request