SD57-0042 Screening compound: (2S,7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(2-pyridyl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide

SD57-0042 Screening compound: (2S,7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(2-pyridyl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide
SD57-0042 Screening compound: (2S,7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(2-pyridyl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD57-0042
(2S,7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(2-pyridyl)ethyl]hexahydro-1H-pyrrolizine-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

SD57-0042

Molecular Formula

C22H25N3O2 (C22 H25 N3 O2)

Compound Name

(2S,7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(2-pyridyl)ethyl]hexahydro-1H-pyrrolizine-2-carboxamide

IUPAC name

(2S7aS)-2-(3-methylphenyl)-5-oxo-N-[2-(pyridin-2-yl)ethyl]-hexahydro-1H-pyrrolizine-2-carboxamide

SMILES

Cc1cccc([C@@](C[C@@H]2CC3)(CN2C3=O)C(NCCc2ncccc2)=O)c1

InChI

InChI=1S/C22H25N3O2/c1-16-5-4-6-17(13-16)22(14-19-8-9-20(26)25(19)15-22)21(27)24-12-10-18-7-2-3-11-23-18/h2-7,11,13,19H,8-10,12,14-15H2,1H3,(H,24,27)/t19-,22-/m1/s1

InChI Key

VBTMMCNHEWLKRR-DENIHFKCSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.46

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

1.603

Distribution Coefficient, logD

1.598

Water Solubility, LogSw

-2.26

Polar Surface Area

51.311

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

5.45

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

40.91

References: we are preparing a list of scientific research reports with SD57-0042 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD57-0042?
Check Price and Availability of SD57-0042, 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 SD57-0042 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD57-0042
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD57-0042
  • 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 SD57-0042 available by request