0988-0091 Screening compound: 2,4-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-2,4-dicarboxylate

0988-0091 Screening compound: 2,4-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-2,4-dicarboxylate
0988-0091 Screening compound: 2,4-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-2,4-dicarboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 0988-0091
2,4-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-2,4-dicarboxylate

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

0988-0091

Molecular Formula

C21H19NO7S (C21 H19 NO7 S)

Compound Name

2,4-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-2,4-dicarboxylate

IUPAC name

24-diethyl 3-methyl-5-(2-oxo-2H-chromene-3-amido)thiophene-24-dicarboxylate

SMILES

CCOC(c1c(NC(C2=Cc(cccc3)c3OC2=O)=O)sc(C(OCC)=O)c1C)=O

InChI

InChI=1S/C21H19NO7S/c1-4-27-20(25)15-11(3)16(21(26)28-5-2)30-18(15)22-17(23)13-10-12-8-6-7-9-14(12)29-19(13)24/h6-10H,4-5H2,1-3H3,(H,22,23)

InChI Key

LTMRFRRUGRYBPO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00728103

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

429.45

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.464

Distribution Coefficient, logD

-1.300

Water Solubility, LogSw

-4.01

Polar Surface Area

85.553

Acid Dissociation Constant (pKa)

2.64

Base Dissociation Constant (pKb)

-8.83

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

23.80

References: we are preparing a list of scientific research reports with 0988-0091 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 0988-0091?
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What is the minimum amount of 0988-0091 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 0988-0091
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 0988-0091
  • 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 0988-0091 available by request