S596-1382 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(5-methyl-2-pyrazinyl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide

S596-1382 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(5-methyl-2-pyrazinyl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide
S596-1382 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(5-methyl-2-pyrazinyl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-1382
(2S,4R)-4-hydroxy-1-{1-[(5-methyl-2-pyrazinyl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-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

S596-1382

Molecular Formula

C22H28N6O3 (C22 H28 N6 O3)

Compound Name

(2S,4R)-4-hydroxy-1-{1-[(5-methyl-2-pyrazinyl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide

IUPAC name

n/a

SMILES

Cc(nc1)cnc1C(N(CC1)CCC1N(C[C@@H](C1)O)[C@@H]1C(NCc1cnccc1)=O)=O

InChI

InChI=1S/C22H28N6O3/c1-15-10-25-19(13-24-15)22(31)27-7-4-17(5-8-27)28-14-18(29)9-20(28)21(30)26-12-16-3-2-6-23-11-16/h2-3,6,10-11,13,17-18,20,29H,4-5,7-9,12,14H2,1H3,(H,26,30)/t18-,20-/m0/s1

InChI Key

FUSNOVCIYZPALR-ICSRJNTNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.5

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.371

Distribution Coefficient, logD

-0.475

Water Solubility, LogSw

-0.82

Polar Surface Area

87.708

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

References: we are preparing a list of scientific research reports with S596-1382 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-1382?
Check Price and Availability of S596-1382, 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 S596-1382 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-1382
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-1382
  • 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 S596-1382 available by request