Y040-2827 Screening compound: N-(1H-1,3-BENZODIAZOL-2-YL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)PROPANAMIDE

Y040-2827 Screening compound: N-(1H-1,3-BENZODIAZOL-2-YL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)PROPANAMIDE
Y040-2827 Screening compound: N-(1H-1,3-BENZODIAZOL-2-YL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)PROPANAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y040-2827
N-(1H-1,3-BENZODIAZOL-2-YL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)PROPANAMIDE

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

Y040-2827

Molecular Formula

C18H15N5O2 (C18 H15 N5 O2)

Compound Name

N-(1H-1,3-BENZODIAZOL-2-YL)-2-(4-OXO-3,4-DIHYDROQUINAZOLIN-3-YL)PROPANAMIDE

IUPAC name

n/a

SMILES

CC(C(Nc1nc(cccc2)c2[nH]1)=O)N(C=Nc1c2cccc1)C2=O

InChI

InChI=1S/C18H15N5O2/c1-11(23-10-19-13-7-3-2-6-12(13)17(23)25)16(24)22-18-20-14-8-4-5-9-15(14)21-18/h2-11H,1H3,(H2,20,21,22,24)/t11-/m0/s1

InChI Key

IYFPSJMCTCKYCR-NSHDSACASA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

333.35

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.109

Distribution Coefficient, logD

1.109

Water Solubility, LogSw

-2.13

Polar Surface Area

69.633

Acid Dissociation Constant (pKa)

11.47

Base Dissociation Constant (pKb)

2.09

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

11.10

Y040-2827 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-Aging Library (44940 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Chelators targeting matrix metalloproteinases library (8930 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Cardiovascular
Mechanism of action:
  • Epigenetic
Targets:
  • Proteases

References: we are preparing a list of scientific research reports with Y040-2827 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y040-2827?
Check Price and Availability of Y040-2827, 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 Y040-2827 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y040-2827
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y040-2827
  • 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 Y040-2827 available by request