Y200-3929 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-4,5-dimethylthiophene-3-carboxylate

Y200-3929 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-4,5-dimethylthiophene-3-carboxylate
Y200-3929 Screening compound: ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-3929
ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-4,5-dimethylthiophene-3-carboxylate

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

Y200-3929

Molecular Formula

C18H19NO5S (C18 H19 NO5 S)

Compound Name

ethyl 2-(2,3-dihydro-1,4-benzodioxine-6-amido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(23-dihydro-14-benzodioxine-6-amido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc3c2OCCO3)=O)sc(C)c1C)=O

InChI

InChI=1S/C18H19NO5S/c1-4-22-18(21)15-10(2)11(3)25-17(15)19-16(20)12-5-6-13-14(9-12)24-8-7-23-13/h5-6,9H,4,7-8H2,1-3H3,(H,19,20)

InChI Key

OGYDOXPJNPIUKL-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD04420905

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

361.42

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.744

Distribution Coefficient, logD

-0.021

Water Solubility, LogSw

-3.15

Polar Surface Area

59.701

Acid Dissociation Constant (pKa)

4.64

Base Dissociation Constant (pKb)

-6.32

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

Y200-3929 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Cardiovascular Library (22201 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cardiovascular

References: we are preparing a list of scientific research reports with Y200-3929 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-3929?
Check Price and Availability of Y200-3929, 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 Y200-3929 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-3929
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-3929
  • 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 Y200-3929 available by request