Y042-5131 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

Y042-5131 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide
Y042-5131 Screening compound: N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-5131
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

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

Y042-5131

Molecular Formula

C14H17N5O4S2 (C14 H17 N5 O4 S2)

Compound Name

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-oxo-1,4,5,6-tetrahydro-3-pyridazinecarboxamide

IUPAC name

N-(5-cyclopropyl-134-thiadiazol-2-yl)-1-(11-dioxo-1lambda6-thiolan-3-yl)-6-oxo-1456-tetrahydropyridazine-3-carboxamide

SMILES

O=C(C(CC1)=NN(C(CC2)CS2(=O)=O)C1=O)Nc1nnc(C2CC2)s1

InChI

InChI=1S/C14H17N5O4S2/c20-11-4-3-10(18-19(11)9-5-6-25(22,23)7-9)12(21)15-14-17-16-13(24-14)8-1-2-8/h8-9H,1-7H2,(H,15,17,21)/t9-/m1/s1

InChI Key

UHTZRQPGXQEVGJ-SECBINFHSA-N

MDL Number (MFCD)

MFCD06368913

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

383.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

0.303

Distribution Coefficient, logD

0.067

Water Solubility, LogSw

-1.93

Polar Surface Area

102.558

Acid Dissociation Constant (pKa)

7.54

Base Dissociation Constant (pKb)

1.16

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

64.29

Y042-5131 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y042-5131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-5131?
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What is the minimum amount of Y042-5131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-5131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-5131
  • 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 Y042-5131 available by request