T502-1248 Screening compound: 4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile

T502-1248 Screening compound: 4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile
T502-1248 Screening compound: 4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1248
4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile

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

T502-1248

Molecular Formula

C18H20FN3O2 (C18 H20 FN3 O2)

Compound Name

4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile

IUPAC name

4-[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine-1-carbonyl]benzonitrile

SMILES

N#Cc(cc1)ccc1C(N(CC1)CCC1(C(N1CCCC1)=O)F)=O

InChI

InChI=1S/C18H20FN3O2/c19-18(17(24)22-9-1-2-10-22)7-11-21(12-8-18)16(23)15-5-3-14(13-20)4-6-15/h3-6H,1-2,7-12H2

InChI Key

WXDHIGYDTKBRJN-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

329.37

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.455

Distribution Coefficient, logD

1.455

Water Solubility, LogSw

-1.73

Polar Surface Area

50.957

Acid Dissociation Constant (pKa)

27.24

Base Dissociation Constant (pKb)

-1.80

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

T502-1248 in Drug Discovery

Included in Screening Libraries

RAR (Nuclear receptors) Ligands Library (6524 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
Targets:
  • Nuclear receptors
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T502-1248 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1248?
Check Price and Availability of T502-1248, 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 T502-1248 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1248
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1248
  • 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 T502-1248 available by request