Y043-6045 Screening compound: N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide

Y043-6045 Screening compound: N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide
Y043-6045 Screening compound: N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-6045
N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-3-(1H-1,2,3,4-tetraazol-1-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

Y043-6045

Molecular Formula

C14H18N6O3S (C14 H18 N6 O3 S)

Compound Name

N-[3-(1,1-dioxo-1lambda~6~,2-thiazinan-2-yl)phenyl]-3-(1H-1,2,3,4-tetraazol-1-yl)propanamide

IUPAC name

N-[3-(11-dioxo-1lambda62-thiazinan-2-yl)phenyl]-3-(1H-1234-tetrazol-1-yl)propanamide

SMILES

O=C(CCn1nnnc1)Nc1cccc(N(CCCC2)S2(=O)=O)c1

InChI

InChI=1S/C14H18N6O3S/c21-14(6-8-19-11-15-17-18-19)16-12-4-3-5-13(10-12)20-7-1-2-9-24(20,22)23/h3-5,10-11H,1-2,6-9H2,(H,16,21)

InChI Key

OFBVZYUYNIDHKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32008550

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

350.4

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.362

Distribution Coefficient, logD

0.362

Water Solubility, LogSw

-2.30

Polar Surface Area

94.949

Acid Dissociation Constant (pKa)

12.13

Base Dissociation Constant (pKb)

0.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

42.86

Y043-6045 in Drug Discovery

Included in Screening Libraries

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

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with Y043-6045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-6045?
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What is the minimum amount of Y043-6045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-6045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-6045
  • 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 Y043-6045 available by request