Y043-6144 Screening compound: 3-{2-[4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-2,4(1H,3H)-quinazolinedione

Y043-6144 Screening compound: 3-{2-[4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-2,4(1H,3H)-quinazolinedione
Y043-6144 Screening compound: 3-{2-[4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-2,4(1H,3H)-quinazolinedione alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6144
3-{2-[4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-2,4(1H,3H)-quinazolinedione

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

Y043-6144

Molecular Formula

C19H23N3O4 (C19 H23 N3 O4)

Compound Name

3-{2-[4a-hydroxyoctahydro-2(1H)-isoquinolinyl]-2-oxoethyl}-2,4(1H,3H)-quinazolinedione

IUPAC name

3-[2-(4a-hydroxy-decahydroisoquinolin-2-yl)-2-oxoethyl]-1234-tetrahydroquinazoline-24-dione

SMILES

OC(CCCC1)(CC2)C1CN2C(CN(C(c(cccc1)c1N1)=O)C1=O)=O

InChI

InChI=1S/C19H23N3O4/c23-16(21-10-9-19(26)8-4-3-5-13(19)11-21)12-22-17(24)14-6-1-2-7-15(14)20-18(22)25/h1-2,6-7,13,26H,3-5,8-12H2,(H,20,25)

InChI Key

ACBIFIKYSKTVKT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262586

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

357.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.561

Distribution Coefficient, logD

1.560

Water Solubility, LogSw

-2.43

Polar Surface Area

71.745

Acid Dissociation Constant (pKa)

10.40

Base Dissociation Constant (pKb)

1.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.63

Y043-6144 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Antibacterial Compounds Library (13827 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with Y043-6144 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6144?
Check Price and Availability of Y043-6144, 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 Y043-6144 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6144
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6144
  • 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 Y043-6144 available by request