J005-0983 Screening compound: ethyl 3-methyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-carboxylate

J005-0983 Screening compound: ethyl 3-methyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-carboxylate
J005-0983 Screening compound: ethyl 3-methyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0983
ethyl 3-methyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-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

J005-0983

Molecular Formula

C20H22N2O6S (C20 H22 N2 O6 S)

Compound Name

ethyl 3-methyl-5-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-carboxylate

IUPAC name

ethyl 3-methyl-5-{[2-(5-methyl-12-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-1-benzofuran-2-carboxylate

SMILES

CCOC(c1c(C)c(cc(cc2)S(N(CCC3)C3c3noc(C)c3)(=O)=O)c2o1)=O

InChI

InChI=1S/C20H22N2O6S/c1-4-26-20(23)19-13(3)15-11-14(7-8-18(15)27-19)29(24,25)22-9-5-6-17(22)16-10-12(2)28-21-16/h7-8,10-11,17H,4-6,9H2,1-3H3/t17-/m0/s1

InChI Key

ODEBUSTXVATEAY-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD15077800

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

418.47

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.832

Distribution Coefficient, logD

3.832

Water Solubility, LogSw

-3.79

Polar Surface Area

83.023

Acid Dissociation Constant (pKa)

26.76

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.00

J005-0983 in Drug Discovery

Included in Screening Libraries

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with J005-0983 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0983?
Check Price and Availability of J005-0983, 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 J005-0983 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0983
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0983
  • 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 J005-0983 available by request