D103-1951 Screening compound: ethyl 2-(6,7-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate

D103-1951 Screening compound: ethyl 2-(6,7-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate
D103-1951 Screening compound: ethyl 2-(6,7-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1951
ethyl 2-(6,7-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-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

D103-1951

Molecular Formula

C21H21NO5S (C21 H21 NO5 S)

Compound Name

ethyl 2-(6,7-dimethyl-4-oxo-4H-chromene-2-amido)-4,5-dimethylthiophene-3-carboxylate

IUPAC name

ethyl 2-(67-dimethyl-4-oxo-4H-chromene-2-amido)-45-dimethylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(C(Oc2c3cc(C)c(C)c2)=CC3=O)=O)sc(C)c1C)=O

InChI

InChI=1S/C21H21NO5S/c1-6-26-21(25)18-12(4)13(5)28-20(18)22-19(24)17-9-15(23)14-7-10(2)11(3)8-16(14)27-17/h7-9H,6H2,1-5H3,(H,22,24)

InChI Key

UVUVNFXLUIGZGY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550224

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.47

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

4.961

Distribution Coefficient, logD

0.953

Water Solubility, LogSw

-4.75

Polar Surface Area

65.696

Acid Dissociation Constant (pKa)

3.39

Base Dissociation Constant (pKb)

-4.38

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

28.60

D103-1951 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 D103-1951 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1951?
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What is the minimum amount of D103-1951 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1951
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1951
  • 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 D103-1951 available by request