Y040-9145 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]acetic acid

Y040-9145 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]acetic acid
Y040-9145 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]acetic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-9145
2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]acetic acid

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

Y040-9145

Molecular Formula

C13H13N3O4 (C13 H13 N3 O4)

Compound Name

2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]acetic acid

IUPAC name

2-[3-(4-oxo-34-dihydroquinazolin-3-yl)propanamido]acetic acid

SMILES

OC(CNC(CCN(C=Nc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C13H13N3O4/c17-11(14-7-12(18)19)5-6-16-8-15-10-4-2-1-3-9(10)13(16)20/h1-4,8H,5-7H2,(H,14,17)(H,18,19)

InChI Key

AWDPMTFWDPEDMS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06611190

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

275.26

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

-1.115

Distribution Coefficient, logD

-5.001

Water Solubility, LogSw

-2.14

Polar Surface Area

79.444

Acid Dissociation Constant (pKa)

3.51

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.10

Y040-9145 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Epitranscriptome Focused Small Molecule Library (20952 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Nervous system
  • Hemic and lymphatic
  • Congenital
  • Metabolic
Agro:
  • Agro
Mechanism of action:
  • Epigenetic

References: we are preparing a list of scientific research reports with Y040-9145 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-9145?
Check Price and Availability of Y040-9145, 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 Y040-9145 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-9145
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-9145
  • 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 Y040-9145 available by request