Y030-8635 Screening compound: N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide

Y030-8635 Screening compound: N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide
Y030-8635 Screening compound: N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8635
N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide

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

Y030-8635

Molecular Formula

C12H14BrNO2 (C12 H14 BrNO2)

Compound Name

N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide

IUPAC name

N-(4-bromo-3-methylphenyl)oxolane-2-carboxamide

SMILES

Cc(cc(cc1)NC(C2OCCC2)=O)c1Br

InChI

InChI=1S/C12H14BrNO2/c1-8-7-9(4-5-10(8)13)14-12(15)11-3-2-6-16-11/h4-5,7,11H,2-3,6H2,1H3,(H,14,15)/t11-/m0/s1

InChI Key

CLDONYXSBPJESH-NSHDSACASA-N

MDL Number (MFCD)

MFCD03929571

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.15

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

2.688

Distribution Coefficient, logD

2.688

Water Solubility, LogSw

-2.96

Polar Surface Area

31.742

Acid Dissociation Constant (pKa)

10.71

Base Dissociation Constant (pKb)

-0.12

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

41.70

Y030-8635 in Drug Discovery

Included in Screening Libraries

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

CNS MPO Library (28609 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Crystallographic and 19F NMR fragment-libraries (624 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with Y030-8635 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8635?
Check Price and Availability of Y030-8635, 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 Y030-8635 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8635
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8635
  • 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 Y030-8635 available by request