T802-0594 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[2-(2-morpholinoethyl)piperidino]-1-propanone

T802-0594 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[2-(2-morpholinoethyl)piperidino]-1-propanone
T802-0594 Screening compound: 3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[2-(2-morpholinoethyl)piperidino]-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound T802-0594
3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[2-(2-morpholinoethyl)piperidino]-1-propanone

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

T802-0594

Molecular Formula

C19H32N4O2 (C19 H32 N4 O2)

Compound Name

3-(3,5-dimethyl-1H-pyrazol-1-yl)-1-[2-(2-morpholinoethyl)piperidino]-1-propanone

IUPAC name

3-(35-dimethyl-1H-pyrazol-1-yl)-1-{2-[2-(morpholin-4-yl)ethyl]piperidin-1-yl}propan-1-one

SMILES

Cc1cc(C)nn1CCC(N1C(CCN2CCOCC2)CCCC1)=O

InChI

InChI=1S/C19H32N4O2/c1-16-15-17(2)23(20-16)10-7-19(24)22-8-4-3-5-18(22)6-9-21-11-13-25-14-12-21/h15,18H,3-14H2,1-2H3/t18-/m1/s1

InChI Key

ZQKVNQJHHGYZSJ-GOSISDBHSA-N

MDL Number (MFCD)

MFCD27623518

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

348.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.759

Distribution Coefficient, logD

0.661

Water Solubility, LogSw

-0.82

Polar Surface Area

41.610

Acid Dissociation Constant (pKa)

24.05

Base Dissociation Constant (pKb)

6.80

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

78.95

T802-0594 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Immune system
Targets:
  • GPCR
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with T802-0594 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound T802-0594?
Check Price and Availability of T802-0594, 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 T802-0594 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for T802-0594
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for T802-0594
  • 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 T802-0594 available by request