D337-1383 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide

D337-1383 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide
D337-1383 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-fluorobenzyl)-3-isoxazolecarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1383
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-(1,1-dioxotetrahydro-1H-1lambda~6~-thiophen-3-yl)-N~3~-(4-fluorobenzyl)-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

D337-1383

Molecular Formula

C23H21FN2O6S (C23 H21 FN2 O6 S)

Compound Name

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

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-(11-dioxo-1lambda6-thiolan-3-yl)-N-[(4-fluorophenyl)methyl]-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)N(Cc(cc1)ccc1F)C(CC1)CS1(=O)=O

InChI

InChI=1S/C23H21FN2O6S/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-/m1/s1

InChI Key

JKZMRGNPGRKDHF-GOSISDBHSA-N

MDL Number (MFCD)

MFCD12915472

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.49

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

1.742

Distribution Coefficient, logD

1.742

Water Solubility, LogSw

-2.55

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

D337-1383 in Drug Discovery

Included in Screening Libraries

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with D337-1383 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1383?
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What is the minimum amount of D337-1383 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1383
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1383
  • 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 D337-1383 available by request