F277-0021 Screening compound: ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]acetamido}benzoate

F277-0021 Screening compound: ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]acetamido}benzoate
F277-0021 Screening compound: ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]acetamido}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound F277-0021
ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]acetamido}benzoate

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

F277-0021

Molecular Formula

C21H21N3O6S (C21 H21 N3 O6 S)

Compound Name

ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-2,3-dihydro-1H-imidazol-1-yl]acetamido}benzoate

IUPAC name

ethyl 4-{2-[3-(4-methylbenzenesulfonyl)-2-oxo-23-dihydro-1H-imidazol-1-yl]acetamido}benzoate

SMILES

CCOC(c(cc1)ccc1NC(CN(C=CN1S(c2ccc(C)cc2)(=O)=O)C1=O)=O)=O

InChI

InChI=1S/C21H21N3O6S/c1-3-30-20(26)16-6-8-17(9-7-16)22-19(25)14-23-12-13-24(21(23)27)31(28,29)18-10-4-15(2)5-11-18/h4-13H,3,14H2,1-2H3,(H,22,25)

InChI Key

FUXSMLRMJGSGLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD08537072

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.48

Hydrogen Bond Acceptors Count

11.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.007

Distribution Coefficient, logD

3.007

Water Solubility, LogSw

-3.33

Polar Surface Area

91.293

Acid Dissociation Constant (pKa)

11.26

Base Dissociation Constant (pKb)

-0.82

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

F277-0021 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F277-0021 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F277-0021?
Check Price and Availability of F277-0021, 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 F277-0021 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F277-0021
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F277-0021
  • 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 F277-0021 available by request