C989-0527 Screening compound: N-(4-fluoro-2-methylphenyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

C989-0527 Screening compound: N-(4-fluoro-2-methylphenyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide
C989-0527 Screening compound: N-(4-fluoro-2-methylphenyl)-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 C989-0527
N-(4-fluoro-2-methylphenyl)-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

C989-0527

Molecular Formula

C20H20FN3O5S (C20 H20 FN3 O5 S)

Compound Name

N-(4-fluoro-2-methylphenyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]acetamide

IUPAC name

N-(4-fluoro-2-methylphenyl)-2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-23-dihydro-13-benzoxazol-3-yl]acetamide

SMILES

Cc(cc(cc1)F)c1NC(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)=O

InChI

InChI=1S/C20H20FN3O5S/c1-13-10-14(21)4-6-16(13)22-19(25)12-24-17-7-5-15(11-18(17)29-20(24)26)30(27,28)23-8-2-3-9-23/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,22,25)

InChI Key

FMZZZYRIQOJOQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809440

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.519

Distribution Coefficient, logD

2.518

Water Solubility, LogSw

-3.02

Polar Surface Area

77.595

Acid Dissociation Constant (pKa)

10.74

Base Dissociation Constant (pKb)

0.22

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C989-0527 in Drug Discovery

Included in Screening Libraries

Purinergic Library (3321 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 C989-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0527?
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What is the minimum amount of C989-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0527
  • 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 C989-0527 available by request