D337-1349 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide

D337-1349 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide
D337-1349 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1349
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(propan-2-yl)-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

D337-1349

Molecular Formula

C17H16N4O4S (C17 H16 N4 O4 S)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(propan-2-yl)-1,3,4-thiadiazol-2-yl]-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-[5-(propan-2-yl)-134-thiadiazol-2-yl]-12-oxazole-3-carboxamide

SMILES

CC(C)c1nnc(NC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)s1

InChI

InChI=1S/C17H16N4O4S/c1-9(2)16-19-20-17(26-16)18-15(22)11-8-13(25-21-11)10-3-4-12-14(7-10)24-6-5-23-12/h3-4,7-9H,5-6H2,1-2H3,(H,18,20,22)

InChI Key

OZRYGCUFVYLSQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

372.4

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.877

Distribution Coefficient, logD

2.799

Water Solubility, LogSw

-3.45

Polar Surface Area

84.233

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

-2.39

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

29.40

D337-1349 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

Angiogenesis library (14822 compounds)

Anti-Inflammatory Library (24602 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
  • Immune system
  • 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 D337-1349 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1349?
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What is the minimum amount of D337-1349 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1349
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1349
  • 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 D337-1349 available by request