C989-0508 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C989-0508 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
C989-0508 Screening compound: 2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[4-(trifluoromethyl)phenyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0508
2-[2-oxo-6-(pyrrolidine-1-sulfonyl)-2,3-dihydro-1,3-benzoxazol-3-yl]-N-[4-(trifluoromethyl)phenyl]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

C989-0508

Molecular Formula

C20H18F3N3O5S (C20 H18 F3 N3 O5 S)

Compound Name

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

IUPAC name

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

SMILES

O=C(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)Nc1ccc(C(F)(F)F)cc1

InChI

InChI=1S/C20H18F3N3O5S/c21-20(22,23)13-3-5-14(6-4-13)24-18(27)12-26-16-8-7-15(11-17(16)31-19(26)28)32(29,30)25-9-1-2-10-25/h3-8,11H,1-2,9-10,12H2,(H,24,27)

InChI Key

VETQGZYPLIPDBV-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809433

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

469.44

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

3.372

Distribution Coefficient, logD

3.372

Water Solubility, LogSw

-4.01

Polar Surface Area

78.293

Acid Dissociation Constant (pKa)

12.66

Base Dissociation Constant (pKb)

-0.08

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C989-0508 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with C989-0508 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0508?
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What is the minimum amount of C989-0508 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0508
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0508
  • 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 C989-0508 available by request