Y010-1513 Screening compound: N,N-dibutyl-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

Y010-1513 Screening compound: N,N-dibutyl-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
Y010-1513 Screening compound: N,N-dibutyl-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y010-1513
N,N-dibutyl-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

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

Y010-1513

Molecular Formula

C21H31N3O5S (C21 H31 N3 O5 S)

Compound Name

N,N-dibutyl-2-{[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide

IUPAC name

NN-dibutyl-2-{[5-(345-trimethoxyphenyl)-134-oxadiazol-2-yl]sulfanyl}acetamide

SMILES

CCCCN(CCCC)C(CSc1nnc(-c(cc2OC)cc(OC)c2OC)o1)=O

InChI

InChI=1S/C21H31N3O5S/c1-6-8-10-24(11-9-7-2)18(25)14-30-21-23-22-20(29-21)15-12-16(26-3)19(28-5)17(13-15)27-4/h12-13H,6-11,14H2,1-5H3

InChI Key

TXXZSJKVKLAVKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01859427

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

14.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.762

Distribution Coefficient, logD

3.762

Water Solubility, LogSw

-3.79

Polar Surface Area

69.226

Acid Dissociation Constant (pKa)

20.50

Base Dissociation Constant (pKb)

5.67

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

57.10

Y010-1513 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y010-1513 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y010-1513?
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What is the minimum amount of Y010-1513 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y010-1513
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y010-1513
  • 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 Y010-1513 available by request