D337-1242 Screening compound: ethyl 4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]benzoate

D337-1242 Screening compound: ethyl 4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]benzoate
D337-1242 Screening compound: ethyl 4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound D337-1242
ethyl 4-[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazole-3-amido]benzoate

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

D337-1242

Molecular Formula

C21H18N2O6 (C21 H18 N2 O6)

Compound Name

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

IUPAC name

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

SMILES

CCOC(c(cc1)ccc1NC(c1noc(-c(cc2)cc3c2OCCO3)c1)=O)=O

InChI

InChI=1S/C21H18N2O6/c1-2-26-21(25)13-3-6-15(7-4-13)22-20(24)16-12-18(29-23-16)14-5-8-17-19(11-14)28-10-9-27-17/h3-8,11-12H,2,9-10H2,1H3,(H,22,24)

InChI Key

ZPXPOBYNIVLMHQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08546957

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

394.38

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

3.400

Distribution Coefficient, logD

3.400

Water Solubility, LogSw

-3.61

Polar Surface Area

81.442

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-5.07

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

D337-1242 in Drug Discovery

Included in Screening Libraries

Antimitotic Tubulin Library (17355 compounds)

SH2 Library (10483 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with D337-1242 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound D337-1242?
Check Price and Availability of D337-1242, 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 D337-1242 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for D337-1242
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for D337-1242
  • 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 D337-1242 available by request