C989-0453 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

C989-0453 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
C989-0453 Screening compound: N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0453
N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

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

C989-0453

Molecular Formula

C23H27N3O5S (C23 H27 N3 O5 S)

Compound Name

N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

IUPAC name

N-[2-methyl-6-(propan-2-yl)phenyl]-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

CC(C)c(cccc1C)c1NC(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)=O

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.55

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.105

Distribution Coefficient, logD

3.105

Water Solubility, LogSw

-3.40

Polar Surface Area

76.898

Acid Dissociation Constant (pKa)

13.20

Base Dissociation Constant (pKb)

-1.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

C989-0453 in Drug Discovery

Included in Screening Libraries

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

CNS targets activity set (6557 compounds)

Purinergic Library (3321 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
Targets:
  • GPCR
  • Ion Channels
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C989-0453 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0453?
Check Price and Availability of C989-0453, 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 C989-0453 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0453
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0453
  • 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 C989-0453 available by request