D337-0914 Screening compound: 5-(4-chlorophenyl)-N~3~-(3,4-dimethoxybenzyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide

D337-0914 Screening compound: 5-(4-chlorophenyl)-N~3~-(3,4-dimethoxybenzyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide
D337-0914 Screening compound: 5-(4-chlorophenyl)-N~3~-(3,4-dimethoxybenzyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0914
5-(4-chlorophenyl)-N~3~-(3,4-dimethoxybenzyl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-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

D337-0914

Molecular Formula

C23H23ClN2O6S (C23 H23 ClN2 O6 S)

Compound Name

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

IUPAC name

5-(4-chlorophenyl)-N-[(34-dimethoxyphenyl)methyl]-N-(11-dioxo-1lambda6-thiolan-3-yl)-12-oxazole-3-carboxamide

SMILES

COc(ccc(CN(C(CC1)CS1(=O)=O)C(c1noc(-c(cc2)ccc2Cl)c1)=O)c1)c1OC

InChI

InChI=1S/C23H23ClN2O6S/c1-30-20-8-3-15(11-22(20)31-2)13-26(18-9-10-33(28,29)14-18)23(27)19-12-21(32-25-19)16-4-6-17(24)7-5-16/h3-8,11-12,18H,9-10,13-14H2,1-2H3/t18-/m0/s1

InChI Key

OGHNUFYAEREFRK-SFHVURJKSA-N

MDL Number (MFCD)

MFCD08550706

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

490.96

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.914

Distribution Coefficient, logD

2.914

Water Solubility, LogSw

-3.52

Polar Surface Area

80.656

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-7.32

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D337-0914 in Drug Discovery

Included in Screening Libraries

Lipid Metabolism Library (9174 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cardiovascular
  • Metabolic

References: we are preparing a list of scientific research reports with D337-0914 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0914?
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What is the minimum amount of D337-0914 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0914
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0914
  • 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 D337-0914 available by request