F290-0642 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)benzoic acid

F290-0642 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)benzoic acid
F290-0642 Screening compound: 2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)benzoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound F290-0642
2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)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

F290-0642

Molecular Formula

C23H29FN4O5S (C23 H29 FN4 O5 S)

Compound Name

2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)benzoic acid

IUPAC name

2-{4-[(butylcarbamoyl)methyl]piperazin-1-yl}-5-(3-fluorobenzenesulfonamido)benzoic acid

SMILES

CCCCNC(CN(CC1)CCN1c(ccc(NS(c1cc(F)ccc1)(=O)=O)c1)c1C(O)=O)=O

InChI

InChI=1S/C23H29FN4O5S/c1-2-3-9-25-22(29)16-27-10-12-28(13-11-27)21-8-7-18(15-20(21)23(30)31)26-34(32,33)19-6-4-5-17(24)14-19/h4-8,14-15,26H,2-3,9-13,16H2,1H3,(H,25,29)(H,30,31)

InChI Key

ZKWZURJBDUXXFH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27112241

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

492.57

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

11.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

3.369

Distribution Coefficient, logD

1.253

Water Solubility, LogSw

-3.75

Polar Surface Area

100.573

Acid Dissociation Constant (pKa)

5.29

Base Dissociation Constant (pKb)

6.16

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.10

F290-0642 in Drug Discovery

Included in Screening Libraries

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system
Targets:
  • GPCR
  • Ion Channels

References: we are preparing a list of scientific research reports with F290-0642 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F290-0642?
Check Price and Availability of F290-0642, 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 F290-0642 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F290-0642
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F290-0642
  • 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 F290-0642 available by request