Y030-9041 Screening compound: 5-METHYL-3-PHENYL-N-(1,3,4-THIADIAZOL-2-YL)-4-ISOXAZOLECARBOXAMIDE

Y030-9041 Screening compound: 5-METHYL-3-PHENYL-N-(1,3,4-THIADIAZOL-2-YL)-4-ISOXAZOLECARBOXAMIDE
Y030-9041 Screening compound: 5-METHYL-3-PHENYL-N-(1,3,4-THIADIAZOL-2-YL)-4-ISOXAZOLECARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-9041
5-METHYL-3-PHENYL-N-(1,3,4-THIADIAZOL-2-YL)-4-ISOXAZOLECARBOXAMIDE

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

Y030-9041

Molecular Formula

C13H10N4O2S (C13 H10 N4 O2 S)

Compound Name

5-METHYL-3-PHENYL-N-(1,3,4-THIADIAZOL-2-YL)-4-ISOXAZOLECARBOXAMIDE

IUPAC name

n/a

SMILES

Cc1c(C(Nc2nncs2)=O)c(-c2ccccc2)no1

InChI

InChI=1S/C13H10N4O2S/c1-8-10(12(18)15-13-16-14-7-20-13)11(17-19-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,15,16,18)

InChI Key

NGQQPJRLRNJURZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03387532

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

286.31

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.909

Distribution Coefficient, logD

1.882

Water Solubility, LogSw

-2.50

Polar Surface Area

68.865

Acid Dissociation Constant (pKa)

8.60

Base Dissociation Constant (pKb)

-2.29

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

1.00

Y030-9041 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Anti-Inflammatory Library (24602 compounds)

BRD4 Targeted Library (4534 compounds)

Dark Chemical Matter Library (18430 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
  • Pool
Therapeutical areas:
  • Immune system
  • Cancer
  • Hemic and lymphatic
  • Cardiovascular
  • Metabolic
Targets:
  • Others

References: we are preparing a list of scientific research reports with Y030-9041 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-9041?
Check Price and Availability of Y030-9041, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of Y030-9041 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-9041
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-9041
  • 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 Y030-9041 available by request