S596-1417 Screening compound: (2S,4R)-1-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-piperidyl}-4-hydroxy-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide

S596-1417 Screening compound: (2S,4R)-1-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-piperidyl}-4-hydroxy-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide
S596-1417 Screening compound: (2S,4R)-1-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-piperidyl}-4-hydroxy-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-1417
(2S,4R)-1-{1-[(1,5-dimethyl-1H-pyrazol-3-yl)carbonyl]-4-piperidyl}-4-hydroxy-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

S596-1417

Molecular Formula

C22H30N6O3 (C22 H30 N6 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cc1cc(C(N(CC2)CCC2N(C[C@@H](C2)O)[C@@H]2C(NCc2cnccc2)=O)=O)nn1C

InChI

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

InChI Key

ZKVZQQRRKLIGES-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

-0.435

Distribution Coefficient, logD

-0.538

Water Solubility, LogSw

-1.03

Polar Surface Area

84.113

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 S596-1417 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-1417?
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What is the minimum amount of S596-1417 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-1417
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-1417
  • 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 S596-1417 available by request