D337-1872 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(4-propoxybenzyl)-3-isoxazolecarboxamide

D337-1872 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(4-propoxybenzyl)-3-isoxazolecarboxamide
D337-1872 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(4-propoxybenzyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1872
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methoxyphenyl)-N~3~-(4-propoxybenzyl)-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

D337-1872

Molecular Formula

C25H28N2O6S (C25 H28 N2 O6 S)

Compound Name

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

IUPAC name

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

SMILES

CCCOc1ccc(CN(C(CC2)CS2(=O)=O)C(c2noc(-c(cc3)ccc3OC)c2)=O)cc1

InChI

InChI=1S/C25H28N2O6S/c1-3-13-32-22-8-4-18(5-9-22)16-27(20-12-14-34(29,30)17-20)25(28)23-15-24(33-26-23)19-6-10-21(31-2)11-7-19/h4-11,15,20H,3,12-14,16-17H2,1-2H3/t20-/m1/s1

InChI Key

YGOPWYHCMYDLLM-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD12921522

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

3.688

Distribution Coefficient, logD

3.688

Water Solubility, LogSw

-3.94

Polar Surface Area

80.356

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 D337-1872 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1872?
Check Price and Availability of D337-1872, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D337-1872 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1872
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1872
  • 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 D337-1872 available by request