C989-0545 Screening compound: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]-N-(2-pyridyl)acetamide

C989-0545 Screening compound: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]-N-(2-pyridyl)acetamide
C989-0545 Screening compound: 2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]-N-(2-pyridyl)acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0545
2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]-N-(2-pyridyl)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

C989-0545

Molecular Formula

C18H18N4O5S (C18 H18 N4 O5 S)

Compound Name

2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]-N-(2-pyridyl)acetamide

IUPAC name

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

SMILES

O=C(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)Nc1ncccc1

InChI

InChI=1S/C18H18N4O5S/c23-17(20-16-5-1-2-8-19-16)12-22-14-7-6-13(11-15(14)27-18(22)24)28(25,26)21-9-3-4-10-21/h1-2,5-8,11H,3-4,9-10,12H2,(H,19,20,23)

InChI Key

NFAILXGFICKGRJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

402.43

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.831

Distribution Coefficient, logD

1.831

Water Solubility, LogSw

-2.77

Polar Surface Area

87.908

Acid Dissociation Constant (pKa)

10.87

Base Dissociation Constant (pKb)

1.61

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.78

C989-0545 in Drug Discovery

Included in Screening Libraries

Dark Chemical Matter Library (18430 compounds)

Purinergic Library (3321 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Structure:
  • Pool
Therapeutical areas:
  • Nervous system
  • Cardiovascular
  • Metabolic
  • Infections
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Cardiovascular
  • Skin
  • Metabolic
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Targets:
  • GPCR
  • Ion Channels
  • Proteases
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C989-0545 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0545?
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What is the minimum amount of C989-0545 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0545
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0545
  • 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 C989-0545 available by request