D103-1203 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-N~2~-(4-propoxybenzyl)-4H-chromene-2-carboxamide

D103-1203 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-N~2~-(4-propoxybenzyl)-4H-chromene-2-carboxamide
D103-1203 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-N~2~-(4-propoxybenzyl)-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1203
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-N~2~-(4-propoxybenzyl)-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

D103-1203

Molecular Formula

C25H27NO6S (C25 H27 NO6 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7-methyl-4-oxo-N~2~-(4-propoxybenzyl)-4H-chromene-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-7-methyl-4-oxo-N-[(4-propoxyphenyl)methyl]-4H-chromene-2-carboxamide

SMILES

CCCOc1ccc(CN(C(CC2)CS2(=O)=O)C(C(Oc2c3ccc(C)c2)=CC3=O)=O)cc1

InChI

InChI=1S/C25H27NO6S/c1-3-11-31-20-7-5-18(6-8-20)15-26(19-10-12-33(29,30)16-19)25(28)24-14-22(27)21-9-4-17(2)13-23(21)32-24/h4-9,13-14,19H,3,10-12,15-16H2,1-2H3/t19-/m1/s1

InChI Key

VGYFEELGBZWHEO-LJQANCHMSA-N

MDL Number (MFCD)

MFCD07425976

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.591

Distribution Coefficient, logD

3.591

Water Solubility, LogSw

-3.76

Polar Surface Area

73.096

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D103-1203 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D103-1203 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1203?
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What is the minimum amount of D103-1203 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1203
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1203
  • 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 D103-1203 available by request