T502-1354 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine

T502-1354 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine
T502-1354 Screening compound: 1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine alternative view

Chemical Structure Depiction of ChemDiv screening compound T502-1354
1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine

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

T502-1354

Molecular Formula

C16H23FN4O2 (C16 H23 FN4 O2)

Compound Name

1-(1,3-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine

IUPAC name

1-(13-dimethyl-1H-pyrazole-5-carbonyl)-4-fluoro-4-(pyrrolidine-1-carbonyl)piperidine

SMILES

Cc1nn(C)c(C(N(CC2)CCC2(C(N2CCCC2)=O)F)=O)c1

InChI

InChI=1S/C16H23FN4O2/c1-12-11-13(19(2)18-12)14(22)20-9-5-16(17,6-10-20)15(23)21-7-3-4-8-21/h11H,3-10H2,1-2H3

InChI Key

NUFHTMKQWMQCQQ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD32262154

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

322.38

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.457

Distribution Coefficient, logD

0.457

Water Solubility, LogSw

-0.77

Polar Surface Area

47.223

Acid Dissociation Constant (pKa)

27.13

Base Dissociation Constant (pKb)

2.30

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

68.75

T502-1354 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with T502-1354 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T502-1354?
Check Price and Availability of T502-1354, 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 T502-1354 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T502-1354
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T502-1354
  • 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 T502-1354 available by request