Y030-8871 Screening compound: ethyl ({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

Y030-8871 Screening compound: ethyl ({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate
Y030-8871 Screening compound: ethyl ({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-8871
ethyl ({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

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

Y030-8871

Molecular Formula

C15H17N3O5S (C15 H17 N3 O5 S)

Compound Name

ethyl ({5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl}carbamoyl)formate

IUPAC name

ethyl ({5-[(34-dimethoxyphenyl)methyl]-134-thiadiazol-2-yl}carbamoyl)formate

SMILES

CCOC(C(Nc1nnc(Cc(cc2)cc(OC)c2OC)s1)=O)=O

InChI

InChI=1S/C15H17N3O5S/c1-4-23-14(20)13(19)16-15-18-17-12(24-15)8-9-5-6-10(21-2)11(7-9)22-3/h5-7H,4,8H2,1-3H3,(H,16,18,19)

InChI Key

VMFLGJQFTVYYBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03930095

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.38

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.126

Distribution Coefficient, logD

-0.165

Water Solubility, LogSw

-3.02

Polar Surface Area

83.384

Acid Dissociation Constant (pKa)

5.11

Base Dissociation Constant (pKb)

-1.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y030-8871 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

Angiogenesis library (14822 compounds)

Dark Chemical Matter Library (18430 compounds)

Selective Target Activity Profiling Library (14702 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:
  • Cancer

References: we are preparing a list of scientific research reports with Y030-8871 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-8871?
Check Price and Availability of Y030-8871, 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 Y030-8871 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-8871
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-8871
  • 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 Y030-8871 available by request