D337-0446 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-N~3~-(2-thienylmethyl)-3-isoxazolecarboxamide

D337-0446 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-N~3~-(2-thienylmethyl)-3-isoxazolecarboxamide
D337-0446 Screening compound: N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-N~3~-(2-thienylmethyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-0446
N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-N~3~-(2-thienylmethyl)-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

D337-0446

Molecular Formula

C20H20N2O4S2 (C20 H20 N2 O4 S2)

Compound Name

N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-5-(4-methylphenyl)-N~3~-(2-thienylmethyl)-3-isoxazolecarboxamide

IUPAC name

N-(11-dioxo-1lambda6-thiolan-3-yl)-5-(4-methylphenyl)-N-[(thiophen-2-yl)methyl]-12-oxazole-3-carboxamide

SMILES

Cc(cc1)ccc1-c1cc(C(N(Cc2cccs2)C(CC2)CS2(=O)=O)=O)no1

InChI

InChI=1S/C20H20N2O4S2/c1-14-4-6-15(7-5-14)19-11-18(21-26-19)20(23)22(12-17-3-2-9-27-17)16-8-10-28(24,25)13-16/h2-7,9,11,16H,8,10,12-13H2,1H3/t16-/m1/s1

InChI Key

MHEOPAWHDDEZCH-MRXNPFEDSA-N

MDL Number (MFCD)

MFCD08547300

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.140

Distribution Coefficient, logD

3.140

Water Solubility, LogSw

-3.20

Polar Surface Area

66.413

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-8.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with D337-0446 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-0446?
Check Price and Availability of D337-0446, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of D337-0446 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-0446
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-0446
  • 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 D337-0446 available by request