Y010-0299 Screening compound: 1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone

Y010-0299 Screening compound: 1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone
Y010-0299 Screening compound: 1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-0299
1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone

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

Y010-0299

Molecular Formula

C18H21NO3 (C18 H21 NO3)

Compound Name

1-[6-hydroxy-3,6-dimethyl-4-(4-methylphenyl)-4,5,6,7-tetrahydro-2,1-benzisoxazol-5-yl]-1-ethanone

IUPAC name

1-[6-hydroxy-36-dimethyl-4-(4-methylphenyl)-4567-tetrahydro-21-benzoxazol-5-yl]ethan-1-one

SMILES

CC(Cc1noc(C)c1C1c2ccc(C)cc2)(C1C(C)=O)O

InChI

InChI=1S/C18H21NO3/c1-10-5-7-13(8-6-10)16-15-12(3)22-19-14(15)9-18(4,21)17(16)11(2)20/h5-8,16-17,21H,9H2,1-4H3

InChI Key

VOEPNEXOAAXCCH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01820298

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

299.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

2.863

Distribution Coefficient, logD

2.863

Water Solubility, LogSw

-2.90

Polar Surface Area

52.001

Acid Dissociation Constant (pKa)

15.55

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

44.44

Y010-0299 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

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

3D-Fragment Library (4274 compounds)

Antiparasite Library (23996 compounds)

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

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

Included in 1.7M Stock Database

Structure:
  • 3D
  • 3D
  • 3D
  • Fragments
  • Pool
Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y010-0299 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-0299?
Check Price and Availability of Y010-0299, 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 Y010-0299 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-0299
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-0299
  • 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 Y010-0299 available by request