T502-1403 Screening compound: 2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine

T502-1403 Screening compound: 2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine
T502-1403 Screening compound: 2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1403
2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine

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

T502-1403

Molecular Formula

C16H22FN3O (C16 H22 FN3 O)

Compound Name

2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine

IUPAC name

2-{[4-fluoro-4-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl}pyridine

SMILES

O=C(C1(CCN(Cc2ncccc2)CC1)F)N1CCCC1

InChI

InChI=1S/C16H22FN3O/c17-16(15(21)20-9-3-4-10-20)6-11-19(12-7-16)13-14-5-1-2-8-18-14/h1-2,5,8H,3-4,6-7,9-13H2

InChI Key

NFWNYNJDAXDGDX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD31973184

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

291.37

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.457

Distribution Coefficient, logD

-0.205

Water Solubility, LogSw

-1.73

Polar Surface Area

30.528

Acid Dissociation Constant (pKa)

27.67

Base Dissociation Constant (pKb)

9.05

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

62.50

T502-1403 in Drug Discovery

Included in Screening Libraries

3D-Fragment Library (4274 compounds)

CNS BBB Library (22607 compounds)

CNS MPO Library (28609 compounds)

CNS Targets (44014 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Fragments
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Nervous system

References: we are preparing a list of scientific research reports with T502-1403 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1403?
Check Price and Availability of T502-1403, 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 T502-1403 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1403
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1403
  • 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 T502-1403 available by request