3002-0911 Screening compound: ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

3002-0911 Screening compound: ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
3002-0911 Screening compound: ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 3002-0911
ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]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

3002-0911

Molecular Formula

C20H16BrNO5S (C20 H16 BrNO5 S)

Compound Name

ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate

IUPAC name

ethyl 2-(6-bromo-2-oxo-2H-chromene-3-amido)-4H5H6H-cyclopenta[b]thiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cc(cc3)Br)c3OC2=O)=O)sc2c1CCC2)=O

InChI

InChI=1S/C20H16BrNO5S/c1-2-26-20(25)16-12-4-3-5-15(12)28-18(16)22-17(23)13-9-10-8-11(21)6-7-14(10)27-19(13)24/h6-9H,2-5H2,1H3,(H,22,23)

InChI Key

BJPZVUNDZLPYSO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01912247

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

462.32

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.325

Distribution Coefficient, logD

-0.638

Water Solubility, LogSw

-4.53

Polar Surface Area

65.086

Acid Dissociation Constant (pKa)

2.44

Base Dissociation Constant (pKb)

-5.81

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

3002-0911 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 3002-0911 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3002-0911?
Check Price and Availability of 3002-0911, 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 3002-0911 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3002-0911
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3002-0911
  • 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 3002-0911 available by request