Y200-0434 Screening compound: 3-[5-(tert-butyl)-3-isoxazolyl]-2,4(1H,3H)-quinazolinedione

Y200-0434 Screening compound: 3-[5-(tert-butyl)-3-isoxazolyl]-2,4(1H,3H)-quinazolinedione
Y200-0434 Screening compound: 3-[5-(tert-butyl)-3-isoxazolyl]-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-0434
3-[5-(tert-butyl)-3-isoxazolyl]-2,4(1H,3H)-quinazolinedione

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

Y200-0434

Molecular Formula

C15H15N3O3 (C15 H15 N3 O3)

Compound Name

3-[5-(tert-butyl)-3-isoxazolyl]-2,4(1H,3H)-quinazolinedione

IUPAC name

n/a

SMILES

CC(C)(C)c1cc(N(C(c(cccc2)c2N2)=O)C2=O)no1

InChI

InChI=1S/C15H15N3O3/c1-15(2,3)11-8-12(17-21-11)18-13(19)9-6-4-5-7-10(9)16-14(18)20/h4-8H,1-3H3,(H,16,20)

InChI Key

WHGIMTCYRHIMNX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08725556

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

285.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.089

Distribution Coefficient, logD

3.087

Water Solubility, LogSw

-3.56

Polar Surface Area

61.139

Acid Dissociation Constant (pKa)

9.94

Base Dissociation Constant (pKb)

-3.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

26.70

Y200-0434 in Drug Discovery

Included in Screening Libraries

Angiogenesis library (14822 compounds)

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y200-0434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-0434?
Check Price and Availability of Y200-0434, 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 Y200-0434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-0434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-0434
  • 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 Y200-0434 available by request