D337-1366 Screening compound: N~3~-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide

D337-1366 Screening compound: N~3~-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide
D337-1366 Screening compound: N~3~-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1366
N~3~-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-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

D337-1366

Molecular Formula

C23H22N2O6S (C23 H22 N2 O6 S)

Compound Name

N~3~-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide

IUPAC name

N-benzyl-5-(23-dihydro-14-benzodioxin-6-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)N(Cc1ccccc1)C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H22N2O6S/c26-23(25(14-16-4-2-1-3-5-16)18-8-11-32(27,28)15-18)19-13-21(31-24-19)17-6-7-20-22(12-17)30-10-9-29-20/h1-7,12-13,18H,8-11,14-15H2/t18-/m1/s1

InChI Key

INMFSJWOZHJGAZ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12915496

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

454.5

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.713

Distribution Coefficient, logD

1.713

Water Solubility, LogSw

-2.48

Polar Surface Area

81.218

Acid Dissociation Constant (pKa)

20.33

Base Dissociation Constant (pKb)

-8.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

30.40

D337-1366 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D337-1366 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1366?
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What is the minimum amount of D337-1366 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1366
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1366
  • 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 D337-1366 available by request