D337-0200 Screening compound: N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-phenyl-3-isoxazolecarboxamide

D337-0200 Screening compound: N~3~-[4-(diethylamino)benzyl]-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-phenyl-3-isoxazolecarboxamide
D337-0200 Screening compound: N~3~-[4-(diethylamino)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 D337-0200
N~3~-[4-(diethylamino)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

D337-0200

Molecular Formula

C25H29N3O4S (C25 H29 N3 O4 S)

Compound Name

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

IUPAC name

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

SMILES

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

InChI

InChI=1S/C25H29N3O4S/c1-3-27(4-2)21-12-10-19(11-13-21)17-28(22-14-15-33(30,31)18-22)25(29)23-16-24(32-26-23)20-8-6-5-7-9-20/h5-13,16,22H,3-4,14-15,17-18H2,1-2H3/t22-/m1/s1

InChI Key

KUWCUWSHCYSFKO-JOCHJYFZSA-N

MDL Number (MFCD)

MFCD08547188

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

467.59

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

3.452

Distribution Coefficient, logD

3.147

Water Solubility, LogSw

-3.77

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

36.00

D337-0200 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D337-0200 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0200?
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What is the minimum amount of D337-0200 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0200
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0200
  • 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 D337-0200 available by request