D337-1388 Screening compound: N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

D337-1388 Screening compound: N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
D337-1388 Screening compound: N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1388
N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-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

D337-1388

Molecular Formula

C26H22N2O5 (C26 H22 N2 O5)

Compound Name

N-benzyl-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide

IUPAC name

N-benzyl-5-(23-dihydro-14-benzodioxin-6-yl)-N-(4-methoxyphenyl)-12-oxazole-3-carboxamide

SMILES

COc(cc1)ccc1N(Cc1ccccc1)C(c1noc(-c(cc2)cc3c2OCCO3)c1)=O

InChI

InChI=1S/C26H22N2O5/c1-30-21-10-8-20(9-11-21)28(17-18-5-3-2-4-6-18)26(29)22-16-24(33-27-22)19-7-12-23-25(15-19)32-14-13-31-23/h2-12,15-16H,13-14,17H2,1H3

InChI Key

BEENECHUMUCXLV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD12915361

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

442.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

4.508

Distribution Coefficient, logD

4.508

Water Solubility, LogSw

-4.50

Polar Surface Area

60.492

Acid Dissociation Constant (pKa)

27.10

Base Dissociation Constant (pKb)

-5.23

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

D337-1388 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

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

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with D337-1388 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1388?
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What is the minimum amount of D337-1388 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1388
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1388
  • 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 D337-1388 available by request