C989-0507 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide

C989-0507 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide
C989-0507 Screening compound: N~1~-(3-fluoro-4-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C989-0507
N~1~-(3-fluoro-4-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-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

C989-0507

Molecular Formula

C20H20FN3O5S (C20 H20 FN3 O5 S)

Compound Name

N~1~-(3-fluoro-4-methylphenyl)-2-[2-oxo-6-(1-pyrrolidinylsulfonyl)-1,3-benzoxazol-3(2H)-yl]acetamide

IUPAC name

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

SMILES

Cc(ccc(NC(CN(c(ccc(S(N1CCCC1)(=O)=O)c1)c1O1)C1=O)=O)c1)c1F

InChI

InChI=1S/C20H20FN3O5S/c1-13-4-5-14(10-16(13)21)22-19(25)12-24-17-7-6-15(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

HDRBYKFRMGWKDF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14809432

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

3.149

Distribution Coefficient, logD

3.149

Water Solubility, LogSw

-3.49

Polar Surface Area

78.293

Acid Dissociation Constant (pKa)

10.78

Base Dissociation Constant (pKb)

1.45

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

30.00

C989-0507 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 C989-0507 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C989-0507?
Check Price and Availability of C989-0507, 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 C989-0507 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C989-0507
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C989-0507
  • 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 C989-0507 available by request