Y043-8769 Screening compound: 1-[3-(4-quinazolinylamino)phenyl]-1-ethanone

Y043-8769 Screening compound: 1-[3-(4-quinazolinylamino)phenyl]-1-ethanone
Y043-8769 Screening compound: 1-[3-(4-quinazolinylamino)phenyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-8769
1-[3-(4-quinazolinylamino)phenyl]-1-ethanone

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

Y043-8769

Molecular Formula

C16H13N3O (C16 H13 N3 O)

Compound Name

1-[3-(4-quinazolinylamino)phenyl]-1-ethanone

IUPAC name

1-{3-[(quinazolin-4-yl)amino]phenyl}ethan-1-one

SMILES

CC(c1cc(Nc2ncnc3ccccc23)ccc1)=O

InChI

InChI=1S/C16H13N3O/c1-11(20)12-5-4-6-13(9-12)19-16-14-7-2-3-8-15(14)17-10-18-16/h2-10H,1H3,(H,17,18,19)

InChI Key

GIROZUSLLFRUDH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02046516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

263.3

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.328

Distribution Coefficient, logD

3.325

Water Solubility, LogSw

-3.61

Polar Surface Area

43.142

Acid Dissociation Constant (pKa)

16.38

Base Dissociation Constant (pKb)

5.12

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

6.25

Y043-8769 in Drug Discovery

Included in Screening Libraries

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

CNS Targets (44014 compounds)

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with Y043-8769 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-8769?
Check Price and Availability of Y043-8769, 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 Y043-8769 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-8769
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-8769
  • 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 Y043-8769 available by request