Y040-8096 Screening compound: N-(1-hydroxy-3-methylpentan-2-yl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

Y040-8096 Screening compound: N-(1-hydroxy-3-methylpentan-2-yl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetamide
Y040-8096 Screening compound: N-(1-hydroxy-3-methylpentan-2-yl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8096
N-(1-hydroxy-3-methylpentan-2-yl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

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

Y040-8096

Molecular Formula

C18H24N2O3S (C18 H24 N2 O3 S)

Compound Name

N-(1-hydroxy-3-methylpentan-2-yl)-2-[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]acetamide

IUPAC name

N-[(2R3R)-1-hydroxy-3-methylpentan-2-yl]-2-[2-(3-methoxyphenyl)-13-thiazol-4-yl]acetamide

SMILES

CC[C@@H](C)[C@H](CO)NC(Cc1csc(-c2cc(OC)ccc2)n1)=O

InChI

InChI=1S/C18H24N2O3S/c1-4-12(2)16(10-21)20-17(22)9-14-11-24-18(19-14)13-6-5-7-15(8-13)23-3/h5-8,11-12,16,21H,4,9-10H2,1-3H3,(H,20,22)/t12-,16+/m1/s1

InChI Key

JGKQDXYPNLQFRP-WBMJQRKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-3.72

Polar Surface Area

59.228

Acid Dissociation Constant (pKa)

15.47

Base Dissociation Constant (pKb)

0.11

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

44.40

Y040-8096 in Drug Discovery

Included in Screening Libraries

Receptor-type Protein Tyrosine Phosphatases Library (3746 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Nervous system
  • Female
  • Metabolic
  • Endocrine
Targets:
  • Phosphatases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y040-8096 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8096?
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What is the minimum amount of Y040-8096 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8096
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8096
  • 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 Y040-8096 available by request