D337-2114 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethoxybenzyl)-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide

D337-2114 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethoxybenzyl)-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide
D337-2114 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethoxybenzyl)-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-2114
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethoxybenzyl)-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide

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

D337-2114

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-ethoxybenzyl)-5-(4-ethoxyphenyl)-3-isoxazolecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-ethoxyphenyl)-N-[(4-ethoxyphenyl)methyl]-12-oxazole-3-carboxamide

SMILES

CCOc1ccc(CN(C(CC2)CS2(=O)=O)C(c2noc(-c(cc3)ccc3OCC)c2)=O)cc1

InChI

InChI=1S/C25H28N2O6S/c1-3-31-21-9-5-18(6-10-21)16-27(20-13-14-34(29,30)17-20)25(28)23-15-24(33-26-23)19-7-11-22(12-8-19)32-4-2/h5-12,15,20H,3-4,13-14,16-17H2,1-2H3/t20-/m1/s1

InChI Key

ULZOJTJKEALFHQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12915431

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.484

Distribution Coefficient, logD

3.484

Water Solubility, LogSw

-3.69

Polar Surface Area

79.642

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-8.31

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with D337-2114 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-2114?
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What is the minimum amount of D337-2114 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-2114
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-2114
  • 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 D337-2114 available by request