Y030-8988 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(phenylsulfanyl)acetamide

Y030-8988 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(phenylsulfanyl)acetamide
Y030-8988 Screening compound: N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(phenylsulfanyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8988
N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(phenylsulfanyl)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

Y030-8988

Molecular Formula

C19H19N3O3S2 (C19 H19 N3 O3 S2)

Compound Name

N-{5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}-2-(phenylsulfanyl)acetamide

IUPAC name

N-{5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}-2-(phenylsulfanyl)acetamide

SMILES

COc(ccc(Cc1nnc(NC(CSc2ccccc2)=O)s1)c1)c1OC

InChI

InChI=1S/C19H19N3O3S2/c1-24-15-9-8-13(10-16(15)25-2)11-18-21-22-19(27-18)20-17(23)12-26-14-6-4-3-5-7-14/h3-10H,11-12H2,1-2H3,(H,20,22,23)

InChI Key

UBKRBFXQTPELRS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930335

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.51

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.557

Distribution Coefficient, logD

3.541

Water Solubility, LogSw

-3.80

Polar Surface Area

62.146

Acid Dissociation Constant (pKa)

8.85

Base Dissociation Constant (pKb)

-4.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

21.05

Y030-8988 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with Y030-8988 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8988?
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What is the minimum amount of Y030-8988 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8988
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8988
  • 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 Y030-8988 available by request