S596-2126 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide

S596-2126 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide
S596-2126 Screening compound: (2S,4R)-4-hydroxy-1-{1-[(1-methyl-1H-imidazol-4-yl)carbonyl]-4-piperidyl}-N~2~-(3-pyridylmethyl)tetrahydro-1H-pyrrole-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S596-2126
(2S,4R)-4-hydroxy-1-{1-[(1-methyl-1H-imidazol-4-yl)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

S596-2126

Molecular Formula

C21H28N6O3 (C21 H28 N6 O3)

Compound Name

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

IUPAC name

n/a

SMILES

Cn1cnc(C(N(CC2)CCC2N(C[C@@H](C2)O)[C@@H]2C(NCc2cnccc2)=O)=O)c1

InChI

InChI=1S/C21H28N6O3/c1-25-13-18(24-14-25)21(30)26-7-4-16(5-8-26)27-12-17(28)9-19(27)20(29)23-11-15-3-2-6-22-10-15/h2-3,6,10,13-14,16-17,19,28H,4-5,7-9,11-12H2,1H3,(H,23,29)/t17-,19-/m0/s1

InChI Key

GCGCDFUPNYKHTJ-HKUYNNGSSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

412.49

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

-0.801

Distribution Coefficient, logD

-0.904

Water Solubility, LogSw

-0.82

Polar Surface Area

82.263

Acid Dissociation Constant (pKa)

13.42

Base Dissociation Constant (pKb)

6.83

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.40

References: we are preparing a list of scientific research reports with S596-2126 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S596-2126?
Check Price and Availability of S596-2126, 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 S596-2126 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S596-2126
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S596-2126
  • 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 S596-2126 available by request