D103-1543 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-N~2~-(4-fluorobenzyl)-4-oxo-4H-chromene-2-carboxamide

D103-1543 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-N~2~-(4-fluorobenzyl)-4-oxo-4H-chromene-2-carboxamide
D103-1543 Screening compound: N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-N~2~-(4-fluorobenzyl)-4-oxo-4H-chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D103-1543
N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-N~2~-(4-fluorobenzyl)-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

D103-1543

Molecular Formula

C23H22FNO5S (C23 H22 FNO5 S)

Compound Name

N~2~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-6-ethyl-N~2~-(4-fluorobenzyl)-4-oxo-4H-chromene-2-carboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-6-ethyl-N-[(4-fluorophenyl)methyl]-4-oxo-4H-chromene-2-carboxamide

SMILES

CCc(cc1)cc2c1OC(C(N(Cc(cc1)ccc1F)C(CC1)CS1(=O)=O)=O)=CC2=O

InChI

InChI=1S/C23H22FNO5S/c1-2-15-5-8-21-19(11-15)20(26)12-22(30-21)23(27)25(18-9-10-31(28,29)14-18)13-16-3-6-17(24)7-4-16/h3-8,11-12,18H,2,9-10,13-14H2,1H3/t18-/m1/s1

InChI Key

CXJJYQXTEGIITL-GOSISDBHSA-N

MDL Number (MFCD)

MFCD07428268

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.067

Distribution Coefficient, logD

3.067

Water Solubility, LogSw

-3.49

Polar Surface Area

65.678

Acid Dissociation Constant (pKa)

20.41

Base Dissociation Constant (pKb)

-5.49

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D103-1543 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 D103-1543 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D103-1543?
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What is the minimum amount of D103-1543 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D103-1543
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D103-1543
  • 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 D103-1543 available by request