Y043-8129 Screening compound: methyl 5-{[4-oxo-3(4H)-quinazolinyl]methyl}-2-furoate

Y043-8129 Screening compound: methyl 5-{[4-oxo-3(4H)-quinazolinyl]methyl}-2-furoate
Y043-8129 Screening compound: methyl 5-{[4-oxo-3(4H)-quinazolinyl]methyl}-2-furoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8129
methyl 5-{[4-oxo-3(4H)-quinazolinyl]methyl}-2-furoate

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

Y043-8129

Molecular Formula

C15H12N2O4 (C15 H12 N2 O4)

Compound Name

methyl 5-{[4-oxo-3(4H)-quinazolinyl]methyl}-2-furoate

IUPAC name

methyl 5-[(4-oxo-34-dihydroquinazolin-3-yl)methyl]furan-2-carboxylate

SMILES

COC(c1ccc(CN(C=Nc2c3cccc2)C3=O)o1)=O

InChI

InChI=1S/C15H12N2O4/c1-20-15(19)13-7-6-10(21-13)8-17-9-16-12-5-3-2-4-11(12)14(17)18/h2-7,9H,8H2,1H3

InChI Key

VKJVFIXRDQAGNQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07330957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

284.27

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.507

Distribution Coefficient, logD

1.507

Water Solubility, LogSw

-2.26

Polar Surface Area

55.354

Acid Dissociation Constant (pKa)

34.68

Base Dissociation Constant (pKb)

1.72

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.33

Y043-8129 in Drug Discovery

Included in Screening Libraries

Fragments Library (11262 compounds)

Included in 1.7M Stock Database

Structure:
  • Fragments

References: we are preparing a list of scientific research reports with Y043-8129 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8129?
Check Price and Availability of Y043-8129, 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 Y043-8129 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8129
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8129
  • 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 Y043-8129 available by request