C521-0977 Screening compound: 5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

C521-0977 Screening compound: 5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide
C521-0977 Screening compound: 5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C521-0977
5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

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

C521-0977

Molecular Formula

C21H20FNO4S (C21 H20 FNO4 S)

Compound Name

5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

IUPAC name

5-[(2-ethylbenzenesulfonyl)methyl]-N-[(4-fluorophenyl)methyl]furan-2-carboxamide

SMILES

CCc(cccc1)c1S(Cc1ccc(C(NCc(cc2)ccc2F)=O)o1)(=O)=O

InChI

InChI=1S/C21H20FNO4S/c1-2-16-5-3-4-6-20(16)28(25,26)14-18-11-12-19(27-18)21(24)23-13-15-7-9-17(22)10-8-15/h3-12H,2,13-14H2,1H3,(H,23,24)

InChI Key

DJJXKRVHZMOERI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14765495

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.46

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.923

Distribution Coefficient, logD

3.923

Water Solubility, LogSw

-3.89

Polar Surface Area

61.258

Acid Dissociation Constant (pKa)

11.91

Base Dissociation Constant (pKb)

-3.68

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

19.00

References: we are preparing a list of scientific research reports with C521-0977 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C521-0977?
Check Price and Availability of C521-0977, 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 C521-0977 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C521-0977
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C521-0977
  • 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 C521-0977 available by request