D337-0191 Screening compound: N~3~-[4-(dimethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-phenyl-3-isoxazolecarboxamide

D337-0191 Screening compound: N~3~-[4-(dimethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-phenyl-3-isoxazolecarboxamide
D337-0191 Screening compound: N~3~-[4-(dimethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-phenyl-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0191
N~3~-[4-(dimethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-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

D337-0191

Molecular Formula

C23H25N3O4S (C23 H25 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

CN(C)c1ccc(CN(C(CC2)CS2(=O)=O)C(c2noc(-c3ccccc3)c2)=O)cc1

InChI

InChI=1S/C23H25N3O4S/c1-25(2)19-10-8-17(9-11-19)15-26(20-12-13-31(28,29)16-20)23(27)21-14-22(30-24-21)18-6-4-3-5-7-18/h3-11,14,20H,12-13,15-16H2,1-2H3/t20-/m1/s1

InChI Key

DHXHELLBOAWUDC-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD08546859

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

439.54

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.731

Distribution Coefficient, logD

2.716

Water Solubility, LogSw

-3.28

Polar Surface Area

68.200

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

5.96

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

References: we are preparing a list of scientific research reports with D337-0191 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0191?
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What is the minimum amount of D337-0191 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0191
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0191
  • 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 D337-0191 available by request