Y043-2154 Screening compound: N~1~-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

Y043-2154 Screening compound: N~1~-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide
Y043-2154 Screening compound: N~1~-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-2154
N~1~-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

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

Y043-2154

Molecular Formula

C20H24N4O4S (C20 H24 N4 O4 S)

Compound Name

N~1~-[4-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-2-[3-oxo-5,6,7,8-tetrahydro-2(3H)-cinnolinyl]acetamide

IUPAC name

N-[4-(11-dioxo-1lambda62-thiazinan-2-yl)phenyl]-2-(3-oxo-235678-hexahydrocinnolin-2-yl)acetamide

SMILES

O=C(CN1N=C(CCCC2)C2=CC1=O)Nc(cc1)ccc1N(CCCC1)S1(=O)=O

InChI

InChI=1S/C20H24N4O4S/c25-19(14-23-20(26)13-15-5-1-2-6-18(15)22-23)21-16-7-9-17(10-8-16)24-11-3-4-12-29(24,27)28/h7-10,13H,1-6,11-12,14H2,(H,21,25)

InChI Key

UBJPLGDSTDHYDI-UHFFFAOYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.378

Distribution Coefficient, logD

1.378

Water Solubility, LogSw

-2.43

Polar Surface Area

83.052

Acid Dissociation Constant (pKa)

12.50

Base Dissociation Constant (pKb)

2.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

45.00

Y043-2154 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-2154 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-2154?
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What is the minimum amount of Y043-2154 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-2154
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-2154
  • 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 Y043-2154 available by request