T502-0834 Screening compound: N4-cyclopropyl-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoropiperidine-1,4-dicarboxamide

T502-0834 Screening compound: N4-cyclopropyl-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoropiperidine-1,4-dicarboxamide
T502-0834 Screening compound: N4-cyclopropyl-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoropiperidine-1,4-dicarboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-0834
N4-cyclopropyl-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoropiperidine-1,4-dicarboxamide

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

T502-0834

Molecular Formula

C18H22FN3O4 (C18 H22 FN3 O4)

Compound Name

N4-cyclopropyl-N1-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-fluoropiperidine-1,4-dicarboxamide

IUPAC name

N4-cyclopropyl-N1-(23-dihydro-14-benzodioxin-6-yl)-4-fluoropiperidine-14-dicarboxamide

SMILES

O=C(C(CC1)(CCN1C(Nc(cc1)cc2c1OCCO2)=O)F)NC1CC1

InChI

InChI=1S/C18H22FN3O4/c19-18(16(23)20-12-1-2-12)5-7-22(8-6-18)17(24)21-13-3-4-14-15(11-13)26-10-9-25-14/h3-4,11-12H,1-2,5-10H2,(H,20,23)(H,21,24)

InChI Key

CNLGUOOJXQACBC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261621

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.39

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.806

Distribution Coefficient, logD

0.806

Water Solubility, LogSw

-2.08

Polar Surface Area

66.000

Acid Dissociation Constant (pKa)

11.80

Base Dissociation Constant (pKb)

2.13

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

55.56

T502-0834 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Soluble Diversity Library (15920 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
  • Mimetics
Mechanism of action:
  • PPI modulators
  • PPI modulators

References: we are preparing a list of scientific research reports with T502-0834 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-0834?
Check Price and Availability of T502-0834, 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 T502-0834 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-0834
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-0834
  • 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 T502-0834 available by request