D337-1337 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide

D337-1337 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide
D337-1337 Screening compound: 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1337
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-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

D337-1337

Molecular Formula

C24H25N3O6S (C24 H25 N3 O6 S)

Compound Name

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2-oxazole-3-carboxamide

IUPAC name

5-(23-dihydro-14-benzodioxin-6-yl)-N-{3-[(2-methoxyethyl)carbamoyl]-4567-tetrahydro-1-benzothiophen-2-yl}-12-oxazole-3-carboxamide

SMILES

COCCNC(c1c(NC(c2noc(-c(cc3)cc4c3OCCO4)c2)=O)sc2c1CCCC2)=O

InChI

InChI=1S/C24H25N3O6S/c1-30-9-8-25-23(29)21-15-4-2-3-5-20(15)34-24(21)26-22(28)16-13-18(33-27-16)14-6-7-17-19(12-14)32-11-10-31-17/h6-7,12-13H,2-5,8-11H2,1H3,(H,25,29)(H,26,28)

InChI Key

WKALTPXCJGQCFU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08545107

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

483.55

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.851

Distribution Coefficient, logD

2.017

Water Solubility, LogSw

-3.52

Polar Surface Area

93.272

Acid Dissociation Constant (pKa)

6.63

Base Dissociation Constant (pKb)

-2.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

37.50

D337-1337 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Protein Kinases Inhibitors Library (36801 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-1337 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1337?
Check Price and Availability of D337-1337, 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 D337-1337 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1337
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1337
  • 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 D337-1337 available by request