Y200-1738 Screening compound: ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate

Y200-1738 Screening compound: ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate
Y200-1738 Screening compound: ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-1738
ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate

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

Y200-1738

Molecular Formula

C21H17NO5S (C21 H17 NO5 S)

Compound Name

ethyl 2-[(1,3-benzodioxol-5-ylcarbonyl)amino]-4-phenyl-3-thiophenecarboxylate

IUPAC name

ethyl 2-(2H-13-benzodioxole-5-amido)-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c(cc2)cc3c2OCO3)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C21H17NO5S/c1-2-25-21(24)18-15(13-6-4-3-5-7-13)11-28-20(18)22-19(23)14-8-9-16-17(10-14)27-12-26-16/h3-11H,2,12H2,1H3,(H,22,23)

InChI Key

RUPUSIJAZNJOKI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03389229

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

395.44

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.484

Distribution Coefficient, logD

4.432

Water Solubility, LogSw

-4.39

Polar Surface Area

60.722

Acid Dissociation Constant (pKa)

8.30

Base Dissociation Constant (pKb)

-10.19

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.29

Y200-1738 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system

References: we are preparing a list of scientific research reports with Y200-1738 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-1738?
Check Price and Availability of Y200-1738, 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 Y200-1738 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-1738
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-1738
  • 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 Y200-1738 available by request