Y042-6592 Screening compound: methyl 2-({2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)-5-methyl-1,3-thiazole-4-carboxylate

Y042-6592 Screening compound: methyl 2-({2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)-5-methyl-1,3-thiazole-4-carboxylate
Y042-6592 Screening compound: methyl 2-({2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)-5-methyl-1,3-thiazole-4-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y042-6592
methyl 2-({2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)-5-methyl-1,3-thiazole-4-carboxylate

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

Y042-6592

Molecular Formula

C18H15FN4O4S (C18 H15 FN4 O4 S)

Compound Name

methyl 2-({2-[3-(2-fluorophenyl)-6-oxo-1(6H)-pyridazinyl]acetyl}amino)-5-methyl-1,3-thiazole-4-carboxylate

IUPAC name

methyl 2-{2-[3-(2-fluorophenyl)-6-oxo-16-dihydropyridazin-1-yl]acetamido}-5-methyl-13-thiazole-4-carboxylate

SMILES

Cc1c(C(OC)=O)nc(NC(CN(C(C=C2)=O)N=C2c(cccc2)c2F)=O)s1

InChI

InChI=1S/C18H15FN4O4S/c1-10-16(17(26)27-2)21-18(28-10)20-14(24)9-23-15(25)8-7-13(22-23)11-5-3-4-6-12(11)19/h3-8H,9H2,1-2H3,(H,20,21,24)

InChI Key

IZEOCJAXOAAONW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28057579

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.41

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.692

Distribution Coefficient, logD

2.674

Water Solubility, LogSw

-3.30

Polar Surface Area

83.688

Acid Dissociation Constant (pKa)

8.77

Base Dissociation Constant (pKb)

-3.92

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.67

Y042-6592 in Drug Discovery

Included in Screening Libraries

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 Y042-6592 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y042-6592?
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What is the minimum amount of Y042-6592 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y042-6592
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y042-6592
  • 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 Y042-6592 available by request