Y030-8958 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

Y030-8958 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
Y030-8958 Screening compound: N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8958
N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

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

Y030-8958

Molecular Formula

C20H15ClN4O3S (C20 H15 ClN4 O3 S)

Compound Name

N-{5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazol-2-yl}-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

IUPAC name

N-{5-[(4-chlorophenoxy)methyl]-134-thiadiazol-2-yl}-5-methyl-3-phenyl-12-oxazole-4-carboxamide

SMILES

Cc1c(C(Nc2nnc(COc(cc3)ccc3Cl)s2)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C20H15ClN4O3S/c1-12-17(18(25-28-12)13-5-3-2-4-6-13)19(26)22-20-24-23-16(29-20)11-27-15-9-7-14(21)8-10-15/h2-10H,11H2,1H3,(H,22,24,26)

InChI Key

VWQXRTXWFPMFHU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930288

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.88

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.427

Distribution Coefficient, logD

4.047

Water Solubility, LogSw

-4.97

Polar Surface Area

76.558

Acid Dissociation Constant (pKa)

7.25

Base Dissociation Constant (pKb)

-3.56

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

10.00

Y030-8958 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

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

Human Kinases Annotated Library (2415 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y030-8958 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8958?
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What is the minimum amount of Y030-8958 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8958
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8958
  • 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 Y030-8958 available by request