D337-1368 Screening compound: N~3~-(4-chlorobenzyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide

D337-1368 Screening compound: N~3~-(4-chlorobenzyl)-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-3-isoxazolecarboxamide
D337-1368 Screening compound: N~3~-(4-chlorobenzyl)-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 D337-1368
N~3~-(4-chlorobenzyl)-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

D337-1368

Molecular Formula

C23H21ClN2O6S (C23 H21 ClN2 O6 S)

Compound Name

N~3~-(4-chlorobenzyl)-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-[(4-chlorophenyl)methyl]-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(Cc(cc1)ccc1Cl)C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H21ClN2O6S/c24-17-4-1-15(2-5-17)13-26(18-7-10-33(28,29)14-18)23(27)19-12-21(32-25-19)16-3-6-20-22(11-16)31-9-8-30-20/h1-6,11-12,18H,7-10,13-14H2/t18-/m0/s1

InChI Key

FCEZLENOBLEESV-SFHVURJKSA-N

MDL Number (MFCD)

MFCD12915501

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

488.95

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

2.308

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-3.18

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

D337-1368 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 D337-1368 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1368?
Check Price and Availability of D337-1368, 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 D337-1368 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1368
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1368
  • 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 D337-1368 available by request