J005-0301 Screening compound: 1-(7-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

J005-0301 Screening compound: 1-(7-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one
J005-0301 Screening compound: 1-(7-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound J005-0301
1-(7-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

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

J005-0301

Molecular Formula

C18H21N3O5S (C18 H21 N3 O5 S)

Compound Name

1-(7-{[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-3,4-dihydro-2H-1,4-benzoxazin-4-yl)ethan-1-one

IUPAC name

1-(7-{[2-(5-methyl-12-oxazol-3-yl)pyrrolidin-1-yl]sulfonyl}-34-dihydro-2H-14-benzoxazin-4-yl)ethan-1-one

SMILES

CC(N1c(ccc(S(N(CCC2)C2c2noc(C)c2)(=O)=O)c2)c2OCC1)=O

InChI

InChI=1S/C18H21N3O5S/c1-12-10-15(19-26-12)16-4-3-7-21(16)27(23,24)14-5-6-17-18(11-14)25-9-8-20(17)13(2)22/h5-6,10-11,16H,3-4,7-9H2,1-2H3/t16-/m0/s1

InChI Key

JAUJQPHBRDUJQQ-INIZCTEOSA-N

MDL Number (MFCD)

MFCD18485672

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.801

Distribution Coefficient, logD

1.801

Water Solubility, LogSw

-2.60

Polar Surface Area

77.747

Acid Dissociation Constant (pKa)

23.05

Base Dissociation Constant (pKb)

-0.99

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

44.40

J005-0301 in Drug Discovery

Included in Screening Libraries

CNS MPO Library (28609 compounds)

GPCR Targeted Library (31838 compounds)

Targeted Diversity Library (40567 compounds)

MDM2-p53 interaction inhibitors Library (21687 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with J005-0301 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound J005-0301?
Check Price and Availability of J005-0301, 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 J005-0301 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for J005-0301
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for J005-0301
  • 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 J005-0301 available by request