D103-1008 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide

D103-1008 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide
D103-1008 Screening compound: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1008
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide

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

D103-1008

Molecular Formula

C20H16N2O3S (C20 H16 N2 O3 S)

Compound Name

N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(3-cyano-4567-tetrahydro-1-benzothiophen-2-yl)-6-methyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1)cc2c1OC(C(Nc(sc1c3CCCC1)c3C#N)=O)=CC2=O

InChI

InChI=1S/C20H16N2O3S/c1-11-6-7-16-13(8-11)15(23)9-17(25-16)19(24)22-20-14(10-21)12-4-2-3-5-18(12)26-20/h6-9H,2-5H2,1H3,(H,22,24)

InChI Key

ORUYAGINCDTKGV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06788927

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

364.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.241

Distribution Coefficient, logD

1.304

Water Solubility, LogSw

-4.46

Polar Surface Area

61.919

Acid Dissociation Constant (pKa)

4.46

Base Dissociation Constant (pKb)

-5.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

25.00

References: we are preparing a list of scientific research reports with D103-1008 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1008?
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What is the minimum amount of D103-1008 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1008
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1008
  • 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 D103-1008 available by request