D354-0168 Screening compound: N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide

D354-0168 Screening compound: N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide
D354-0168 Screening compound: N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D354-0168
N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(3-fluoro-4-methylphenyl)-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

D354-0168

Molecular Formula

C26H30FN3O4S (C26 H30 FN3 O4 S)

Compound Name

N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(3-fluoro-4-methylphenyl)-3-isoxazolecarboxamide

IUPAC name

N-{[4-(diethylamino)phenyl]methyl}-N-(11-dioxo-1lambda6-thiolan-3-yl)-5-(3-fluoro-4-methylphenyl)-12-oxazole-3-carboxamide

SMILES

CCN(CC)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2noc(-c3cc(F)c(C)cc3)c2)=O)cc1

InChI

InChI=1S/C26H30FN3O4S/c1-4-29(5-2)21-10-7-19(8-11-21)16-30(22-12-13-35(32,33)17-22)26(31)24-15-25(34-28-24)20-9-6-18(3)23(27)14-20/h6-11,14-15,22H,4-5,12-13,16-17H2,1-3H3/t22-/m1/s1

InChI Key

PVIQDWIYWPUVLZ-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD08547148

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.61

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.131

Distribution Coefficient, logD

3.827

Water Solubility, LogSw

-4.18

Polar Surface Area

68.131

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

9.52

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with D354-0168 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D354-0168?
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What is the minimum amount of D354-0168 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D354-0168
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D354-0168
  • 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 D354-0168 available by request