D103-1764 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-ethoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

D103-1764 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-ethoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
D103-1764 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-ethoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1764
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-ethoxybenzyl)-6,8-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

D103-1764

Molecular Formula

C25H27NO6S (C25 H27 NO6 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~2~-(4-ethoxybenzyl)-6,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-ethoxyphenyl)methyl]-68-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

CCOc1ccc(CN(C(CC2)CS2(=O)=O)C(C(Oc2c3cc(C)cc2C)=CC3=O)=O)cc1

InChI

InChI=1S/C25H27NO6S/c1-4-31-20-7-5-18(6-8-20)14-26(19-9-10-33(29,30)15-19)25(28)23-13-22(27)21-12-16(2)11-17(3)24(21)32-23/h5-8,11-13,19H,4,9-10,14-15H2,1-3H3/t19-/m1/s1

InChI Key

XCJUECOPSBLBDI-LJQANCHMSA-N

MDL Number (MFCD)

MFCD06604557

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

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.350

Distribution Coefficient, logD

3.350

Water Solubility, LogSw

-3.70

Polar Surface Area

72.486

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.97

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

D103-1764 in Drug Discovery

Included in Screening Libraries

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with D103-1764 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1764?
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What is the minimum amount of D103-1764 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1764
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1764
  • 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 D103-1764 available by request