D103-1930 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

D103-1930 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide
D103-1930 Screening compound: N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1930
N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6,7-dimethyl-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

D103-1930

Molecular Formula

C23H24N2O4S (C23 H24 N2 O4 S)

Compound Name

N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-6,7-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-[3-(ethylcarbamoyl)-4567-tetrahydro-1-benzothiophen-2-yl]-67-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

CCNC(c1c(NC(C(Oc2c3cc(C)c(C)c2)=CC3=O)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C23H24N2O4S/c1-4-24-22(28)20-14-7-5-6-8-19(14)30-23(20)25-21(27)18-11-16(26)15-9-12(2)13(3)10-17(15)29-18/h9-11H,4-8H2,1-3H3,(H,24,28)(H,25,27)

InChI Key

BOGCNGWHBSWRKG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08550227

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.52

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.500

Distribution Coefficient, logD

2.064

Water Solubility, LogSw

-4.53

Polar Surface Area

69.174

Acid Dissociation Constant (pKa)

4.97

Base Dissociation Constant (pKb)

-2.26

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

34.80

D103-1930 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D103-1930 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1930?
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What is the minimum amount of D103-1930 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1930
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1930
  • 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 D103-1930 available by request