F999-0039 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

F999-0039 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
F999-0039 Screening compound: 1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one alternative view

Chemical Structure Depiction of ChemDiv screening compound F999-0039
1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

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

F999-0039

Molecular Formula

C23H28FN3O5S (C23 H28 FN3 O5 S)

Compound Name

1-[1-(3,4-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

IUPAC name

1-[1-(34-dimethoxybenzenesulfonyl)piperidin-4-yl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

SMILES

COc(ccc(S(N(CC1)CCC1N(CCN1Cc(cc2)ccc2F)C1=O)(=O)=O)c1)c1OC

InChI

InChI=1S/C23H28FN3O5S/c1-31-21-8-7-20(15-22(21)32-2)33(29,30)26-11-9-19(10-12-26)27-14-13-25(23(27)28)16-17-3-5-18(24)6-4-17/h3-8,15,19H,9-14,16H2,1-2H3

InChI Key

GBVBLFFJMOIBLJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD27208732

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

477.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.938

Distribution Coefficient, logD

2.938

Water Solubility, LogSw

-3.34

Polar Surface Area

66.776

Acid Dissociation Constant (pKa)

28.03

Base Dissociation Constant (pKb)

-0.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.50

F999-0039 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Targeted Diversity Library (40567 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with F999-0039 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound F999-0039?
Check Price and Availability of F999-0039, 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 F999-0039 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for F999-0039
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for F999-0039
  • 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 F999-0039 available by request