1988-1802 Screening compound: ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

1988-1802 Screening compound: ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
1988-1802 Screening compound: ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 1988-1802
ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-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

1988-1802

Molecular Formula

C21H19NO5S (C21 H19 NO5 S)

Compound Name

ethyl 2-(2-oxo-2H-chromene-3-amido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

IUPAC name

ethyl 2-(2-oxo-2H-chromene-3-amido)-4567-tetrahydro-1-benzothiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C21H19NO5S/c1-2-26-21(25)17-13-8-4-6-10-16(13)28-19(17)22-18(23)14-11-12-7-3-5-9-15(12)27-20(14)24/h3,5,7,9,11H,2,4,6,8,10H2,1H3,(H,22,23)

InChI Key

WIBDOQLTZIVCQT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00850966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.45

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

3.996

Distribution Coefficient, logD

-0.946

Water Solubility, LogSw

-4.38

Polar Surface Area

64.720

Acid Dissociation Constant (pKa)

2.46

Base Dissociation Constant (pKb)

-5.15

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

References: we are preparing a list of scientific research reports with 1988-1802 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1988-1802?
Check Price and Availability of 1988-1802, 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 1988-1802 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1988-1802
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1988-1802
  • 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 1988-1802 available by request