Y044-5140 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-hydroxy-7-methoxy-3-quinolinecarboxamide

Y044-5140 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-hydroxy-7-methoxy-3-quinolinecarboxamide
Y044-5140 Screening compound: N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-hydroxy-7-methoxy-3-quinolinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y044-5140
N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-hydroxy-7-methoxy-3-quinolinecarboxamide

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

Y044-5140

Molecular Formula

C15H16N2O5S (C15 H16 N2 O5 S)

Compound Name

N-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-4-hydroxy-7-methoxy-3-quinolinecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-4-hydroxy-7-methoxyquinoline-3-carboxamide

SMILES

COc(cc1nc2)ccc1c(O)c2C(NC(CC1)CS1(=O)=O)=O

InChI

InChI=1S/C15H16N2O5S/c1-22-10-2-3-11-13(6-10)16-7-12(14(11)18)15(19)17-9-4-5-23(20,21)8-9/h2-3,6-7,9H,4-5,8H2,1H3,(H,16,18)(H,17,19)/t9-/m1/s1

InChI Key

CNKZZSHZKYJZGH-SECBINFHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

336.37

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.975

Distribution Coefficient, logD

0.970

Water Solubility, LogSw

-2.25

Polar Surface Area

84.690

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

2.46

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

33.33

Y044-5140 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y044-5140 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y044-5140?
Check Price and Availability of Y044-5140, 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 Y044-5140 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y044-5140
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y044-5140
  • 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 Y044-5140 available by request