D337-0204 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-furylmethyl)-5-phenyl-3-isoxazolecarboxamide

D337-0204 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-furylmethyl)-5-phenyl-3-isoxazolecarboxamide
D337-0204 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-furylmethyl)-5-phenyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0204
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-furylmethyl)-5-phenyl-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

D337-0204

Molecular Formula

C19H18N2O5S (C19 H18 N2 O5 S)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(2-furylmethyl)-5-phenyl-3-isoxazolecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(furan-2-yl)methyl]-5-phenyl-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c2ccccc2)c1)N(Cc1ccco1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C19H18N2O5S/c22-19(17-11-18(26-20-17)14-5-2-1-3-6-14)21(12-16-7-4-9-25-16)15-8-10-27(23,24)13-15/h1-7,9,11,15H,8,10,12-13H2/t15-/m1/s1

InChI Key

RAKLTXJDVZMEDF-OAHLLOKOSA-N

MDL Number (MFCD)

MFCD12914741

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.43

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.210

Distribution Coefficient, logD

2.210

Water Solubility, LogSw

-2.71

Polar Surface Area

73.144

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-7.88

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.30

D337-0204 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D337-0204 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0204?
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What is the minimum amount of D337-0204 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0204
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0204
  • 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 D337-0204 available by request