6048-0329 Screening compound: 3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

6048-0329 Screening compound: 3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid
6048-0329 Screening compound: 3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 6048-0329
3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

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

6048-0329

Molecular Formula

C16H15NO6 (C16 H15 NO6)

Compound Name

3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

IUPAC name

3-{[4-(methoxycarbonyl)phenyl]carbamoyl}-7-oxabicyclo[2.2.1]hept-5-ene-2-carboxylic acid

SMILES

COC(c(cc1)ccc1NC(C(C1C(O)=O)C2OC1C=C2)=O)=O

InChI

InChI=1S/C16H15NO6/c1-22-16(21)8-2-4-9(5-3-8)17-14(18)12-10-6-7-11(23-10)13(12)15(19)20/h2-7,10-13H,1H3,(H,17,18)(H,19,20)

InChI Key

OQFZTIKWMRRYSB-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00588727

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

317.3

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.438

Distribution Coefficient, logD

-0.783

Water Solubility, LogSw

-1.75

Polar Surface Area

81.536

Acid Dissociation Constant (pKa)

5.18

Base Dissociation Constant (pKb)

-1.51

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

31.30

6048-0329 in Drug Discovery

Included in Screening Libraries

SH2 Library (10483 compounds)

Soluble Diversity Library (15920 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Endocrine
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with 6048-0329 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6048-0329?
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What is the minimum amount of 6048-0329 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6048-0329
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6048-0329
  • 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 6048-0329 available by request