Y200-2078 Screening compound: ethyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-fluorophenyl)thiophene-3-carboxylate

Y200-2078 Screening compound: ethyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-fluorophenyl)thiophene-3-carboxylate
Y200-2078 Screening compound: ethyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-fluorophenyl)thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound Y200-2078
ethyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-fluorophenyl)thiophene-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

Y200-2078

Molecular Formula

C21H16FNO5S (C21 H16 FNO5 S)

Compound Name

ethyl 2-(2H-1,3-benzodioxole-5-amido)-4-(4-fluorophenyl)thiophene-3-carboxylate

IUPAC name

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

SMILES

CCOC(c1c(NC(c(cc2)cc3c2OCO3)=O)scc1-c(cc1)ccc1F)=O

InChI

InChI=1S/C21H16FNO5S/c1-2-26-21(25)18-15(12-3-6-14(22)7-4-12)10-29-20(18)23-19(24)13-5-8-16-17(9-13)28-11-27-16/h3-10H,2,11H2,1H3,(H,23,24)

InChI Key

CIZFUDQCXQJRCN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03397233

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.43

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

4.618

Distribution Coefficient, logD

4.566

Water Solubility, LogSw

-4.52

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

14.30

Y200-2078 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer
Agro:
  • Agro

References: we are preparing a list of scientific research reports with Y200-2078 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y200-2078?
Check Price and Availability of Y200-2078, 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 Y200-2078 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y200-2078
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y200-2078
  • 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 Y200-2078 available by request