S596-2163 Screening compound: (4R)-1-{1-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)CARBONYL]PIPERIDIN-4-YL}-4-HYDROXY-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE

S596-2163 Screening compound: (4R)-1-{1-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)CARBONYL]PIPERIDIN-4-YL}-4-HYDROXY-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE
S596-2163 Screening compound: (4R)-1-{1-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)CARBONYL]PIPERIDIN-4-YL}-4-HYDROXY-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-2163
(4R)-1-{1-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)CARBONYL]PIPERIDIN-4-YL}-4-HYDROXY-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE

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

S596-2163

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

(4R)-1-{1-[(1,3-DIMETHYL-1H-PYRAZOL-4-YL)CARBONYL]PIPERIDIN-4-YL}-4-HYDROXY-N-(PYRIDIN-3-YLMETHYL)-L-PROLINAMIDE

IUPAC name

n/a

SMILES

Cc1nn(C)cc1C(N(CC1)CCC1N(C[C@@H](C1)O)[C@@H]1C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C22H30N6O3/c1-15-19(14-26(2)25-15)22(31)27-8-5-17(6-9-27)28-13-18(29)10-20(28)21(30)24-12-16-4-3-7-23-11-16/h3-4,7,11,14,17-18,20,29H,5-6,8-10,12-13H2,1-2H3,(H,24,30)/t18-,20-/m0/s1

InChI Key

CRHWASBVHVJLTE-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

426.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.718

Distribution Coefficient, logD

-0.821

Water Solubility, LogSw

-1.34

Polar Surface Area

84.789

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

54.50

References: we are preparing a list of scientific research reports with S596-2163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-2163?
Check Price and Availability of S596-2163, 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 S596-2163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-2163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-2163
  • 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 S596-2163 available by request