D337-1323 Screening compound: ethyl 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

D337-1323 Screening compound: ethyl 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate
D337-1323 Screening compound: ethyl 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1323
ethyl 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

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

D337-1323

Molecular Formula

C25H20N2O6S (C25 H20 N2 O6 S)

Compound Name

ethyl 2-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

IUPAC name

ethyl 2-[5-(23-dihydro-14-benzodioxin-6-yl)-12-oxazole-3-amido]-4-phenylthiophene-3-carboxylate

SMILES

CCOC(c1c(NC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)scc1-c1ccccc1)=O

InChI

InChI=1S/C25H20N2O6S/c1-2-30-25(29)22-17(15-6-4-3-5-7-15)14-34-24(22)26-23(28)18-13-20(33-27-18)16-8-9-19-21(12-16)32-11-10-31-19/h3-9,12-14H,2,10-11H2,1H3,(H,26,28)

InChI Key

NIMYOWSAOYLOJR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546946

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

476.51

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

4.339

Distribution Coefficient, logD

4.319

Water Solubility, LogSw

-4.35

Polar Surface Area

80.965

Acid Dissociation Constant (pKa)

8.72

Base Dissociation Constant (pKb)

-7.63

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

D337-1323 in Drug Discovery

Included in Screening Libraries

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:
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin

References: we are preparing a list of scientific research reports with D337-1323 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1323?
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What is the minimum amount of D337-1323 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1323
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1323
  • 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 D337-1323 available by request