Y010-1461 Screening compound: methyl 4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate

Y010-1461 Screening compound: methyl 4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate
Y010-1461 Screening compound: methyl 4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1461
methyl 4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate

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

Y010-1461

Molecular Formula

C16H13N3O3S (C16 H13 N3 O3 S)

Compound Name

methyl 4-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate

IUPAC name

n/a

SMILES

COC(c1ccc(CSc2nnc(-c3ccncc3)o2)cc1)=O

InChI

InChI=1S/C16H13N3O3S/c1-21-15(20)13-4-2-11(3-5-13)10-23-16-19-18-14(22-16)12-6-8-17-9-7-12/h2-9H,10H2,1H3

InChI Key

NWPPHMCDJATXDQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03288187

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

327.36

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.246

Distribution Coefficient, logD

2.246

Water Solubility, LogSw

-2.16

Polar Surface Area

60.666

Acid Dissociation Constant (pKa)

24.68

Base Dissociation Constant (pKb)

4.57

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

12.50

Y010-1461 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool

References: we are preparing a list of scientific research reports with Y010-1461 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1461?
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What is the minimum amount of Y010-1461 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1461
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1461
  • 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 Y010-1461 available by request