F290-0698 Screening compound: 5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

F290-0698 Screening compound: 5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid
F290-0698 Screening compound: 5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F290-0698
5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

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

F290-0698

Molecular Formula

C21H25FN4O5S (C21 H25 FN4 O5 S)

Compound Name

5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

IUPAC name

5-ethanesulfonamido-2-(4-{[(4-fluorophenyl)carbamoyl]methyl}piperazin-1-yl)benzoic acid

SMILES

CCS(Nc(cc1)cc(C(O)=O)c1N1CCN(CC(Nc(cc2)ccc2F)=O)CC1)(=O)=O

InChI

InChI=1S/C21H25FN4O5S/c1-2-32(30,31)24-17-7-8-19(18(13-17)21(28)29)26-11-9-25(10-12-26)14-20(27)23-16-5-3-15(22)4-6-16/h3-8,13,24H,2,9-12,14H2,1H3,(H,23,27)(H,28,29)

InChI Key

NZDHWWYFLASIBK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27112283

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

464.52

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.079

Distribution Coefficient, logD

0.963

Water Solubility, LogSw

-3.48

Polar Surface Area

101.036

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

4.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

References: we are preparing a list of scientific research reports with F290-0698 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F290-0698?
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What is the minimum amount of F290-0698 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F290-0698
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F290-0698
  • 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 F290-0698 available by request