T502-1045 Screening compound: N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide

T502-1045 Screening compound: N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide
T502-1045 Screening compound: N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1045
N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide

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

T502-1045

Molecular Formula

C16H23FN4O2 (C16 H23 FN4 O2)

Compound Name

N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide

IUPAC name

N-(cyclopropylmethyl)-1-(1-ethyl-1H-pyrazole-3-carbonyl)-4-fluoropiperidine-4-carboxamide

SMILES

CCn(cc1)nc1C(N(CC1)CCC1(C(NCC1CC1)=O)F)=O

InChI

InChI=1S/C16H23FN4O2/c1-2-21-8-5-13(19-21)14(22)20-9-6-16(17,7-10-20)15(23)18-11-12-3-4-12/h5,8,12H,2-4,6-7,9-11H2,1H3,(H,18,23)

InChI Key

BQLYXAJDCDOGKJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32261911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.766

Distribution Coefficient, logD

0.766

Water Solubility, LogSw

-1.90

Polar Surface Area

56.208

Acid Dissociation Constant (pKa)

14.07

Base Dissociation Constant (pKb)

5.28

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

T502-1045 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with T502-1045 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1045?
Check Price and Availability of T502-1045, 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 T502-1045 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1045
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1045
  • 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 T502-1045 available by request