D103-1858 Screening compound: N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

D103-1858 Screening compound: N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide
D103-1858 Screening compound: N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1858
N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,8-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

D103-1858

Molecular Formula

C23H23NO5S (C23 H23 NO5 S)

Compound Name

N~2~-benzyl-N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-7,8-dimethyl-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-benzyl-N-(11-dioxo-1lambda6-thiolan-3-yl)-78-dimethyl-4-oxo-4H-chromene-2-carboxamide

SMILES

Cc(cc1)c(C)c(OC(C(N(Cc2ccccc2)C(CC2)CS2(=O)=O)=O)=C2)c1C2=O

InChI

InChI=1S/C23H23NO5S/c1-15-8-9-19-20(25)12-21(29-22(19)16(15)2)23(26)24(13-17-6-4-3-5-7-17)18-10-11-30(27,28)14-18/h3-9,12,18H,10-11,13-14H2,1-2H3/t18-/m1/s1

InChI Key

FTSWORPOAIRTKZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12917064

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.075

Distribution Coefficient, logD

3.075

Water Solubility, LogSw

-3.40

Polar Surface Area

65.362

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.71

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D103-1858 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1858?
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What is the minimum amount of D103-1858 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1858
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1858
  • 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 D103-1858 available by request