D337-1396 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

D337-1396 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide
D337-1396 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1396
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

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

D337-1396

Molecular Formula

C21H15FN4O4S2 (C21 H15 FN4 O4 S2)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-(5-{[(4-fluorophenyl)methyl]sulfanyl}-134-thiadiazol-2-yl)-12-oxazole-3-carboxamide

SMILES

O=C(c1noc(-c(cc2)cc3c2OCCO3)c1)Nc1nnc(SCc(cc2)ccc2F)s1

InChI

InChI=1S/C21H15FN4O4S2/c22-14-4-1-12(2-5-14)11-31-21-25-24-20(32-21)23-19(27)15-10-17(30-26-15)13-3-6-16-18(9-13)29-8-7-28-16/h1-6,9-10H,7-8,11H2,(H,23,24,27)

InChI Key

FAZBYTAXZAEITC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545131

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

470.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.019

Distribution Coefficient, logD

4.017

Water Solubility, LogSw

-4.24

Polar Surface Area

83.322

Acid Dissociation Constant (pKa)

9.70

Base Dissociation Constant (pKb)

-5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

D337-1396 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with D337-1396 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1396?
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What is the minimum amount of D337-1396 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1396
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1396
  • 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 D337-1396 available by request