SD57-0131 Screening compound: (2S,7aS)-2-(2-chlorophenyl)-5-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]hexahydro-1H-pyrrolizine-2-carboxamide

SD57-0131 Screening compound: (2S,7aS)-2-(2-chlorophenyl)-5-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]hexahydro-1H-pyrrolizine-2-carboxamide
SD57-0131 Screening compound: (2S,7aS)-2-(2-chlorophenyl)-5-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]hexahydro-1H-pyrrolizine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SD57-0131
(2S,7aS)-2-(2-chlorophenyl)-5-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]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

SD57-0131

Molecular Formula

C21H26ClN3O3 (C21 H26 ClN3 O3)

Compound Name

(2S,7aS)-2-(2-chlorophenyl)-5-oxo-N~2~-[3-(2-oxo-1-pyrrolidinyl)propyl]hexahydro-1H-pyrrolizine-2-carboxamide

IUPAC name

(2S7aS)-2-(2-chlorophenyl)-5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-hexahydro-1H-pyrrolizine-2-carboxamide

SMILES

O=C([C@](C[C@@H]1CC2)(CN1C2=O)c(cccc1)c1Cl)NCCCN(CCC1)C1=O

InChI

InChI=1S/C21H26ClN3O3/c22-17-6-2-1-5-16(17)21(13-15-8-9-19(27)25(15)14-21)20(28)23-10-4-12-24-11-3-7-18(24)26/h1-2,5-6,15H,3-4,7-14H2,(H,23,28)/t15-,21-/m1/s1

InChI Key

AYDRPINDTSNLEI-QVKFZJNVSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

403.91

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.782

Distribution Coefficient, logD

0.782

Water Solubility, LogSw

-2.94

Polar Surface Area

59.280

Acid Dissociation Constant (pKa)

14.13

Base Dissociation Constant (pKb)

-1.55

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

SD57-0131 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SD57-0131 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SD57-0131?
Check Price and Availability of SD57-0131, 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 SD57-0131 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SD57-0131
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SD57-0131
  • 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 SD57-0131 available by request