Y040-8569 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]-3-phenylpropanoic acid

Y040-8569 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]-3-phenylpropanoic acid
Y040-8569 Screening compound: 2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]-3-phenylpropanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-8569
2-[3-(4-oxo-3,4-dihydroquinazolin-3-yl)propanamido]-3-phenylpropanoic 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

Y040-8569

Molecular Formula

C20H19N3O4 (C20 H19 N3 O4)

Compound Name

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

IUPAC name

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

SMILES

OC(C(Cc1ccccc1)NC(CCN(C=Nc1c2cccc1)C2=O)=O)=O

InChI

InChI=1S/C20H19N3O4/c24-18(22-17(20(26)27)12-14-6-2-1-3-7-14)10-11-23-13-21-16-9-5-4-8-15(16)19(23)25/h1-9,13,17H,10-12H2,(H,22,24)(H,26,27)/t17-/m0/s1

InChI Key

XRTRKJPGAGGYEC-KRWDZBQOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

365.39

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.333

Distribution Coefficient, logD

-3.257

Water Solubility, LogSw

-2.09

Polar Surface Area

78.827

Acid Dissociation Constant (pKa)

3.81

Base Dissociation Constant (pKb)

1.77

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

20.00

Y040-8569 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

PD-1/L1 Library (498 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Immune system
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Others
  • Phosphatases

References: we are preparing a list of scientific research reports with Y040-8569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-8569?
Check Price and Availability of Y040-8569, 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 Y040-8569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-8569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-8569
  • 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 Y040-8569 available by request