SC91-0569 Screening compound: (2R,7aS)-2-(2-chlorophenyl)-N~2~-(3,4-dimethoxybenzyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide

SC91-0569 Screening compound: (2R,7aS)-2-(2-chlorophenyl)-N~2~-(3,4-dimethoxybenzyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide
SC91-0569 Screening compound: (2R,7aS)-2-(2-chlorophenyl)-N~2~-(3,4-dimethoxybenzyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SC91-0569
(2R,7aS)-2-(2-chlorophenyl)-N~2~-(3,4-dimethoxybenzyl)-5-oxohexahydro-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

SC91-0569

Molecular Formula

C23H25ClN2O4 (C23 H25 ClN2 O4)

Compound Name

(2R,7aS)-2-(2-chlorophenyl)-N~2~-(3,4-dimethoxybenzyl)-5-oxohexahydro-1H-pyrrolizine-2-carboxamide

IUPAC name

(2R7aS)-2-(2-chlorophenyl)-N-[(34-dimethoxyphenyl)methyl]-5-oxo-hexahydro-1H-pyrrolizine-2-carboxamide

SMILES

COc(ccc(CNC([C@](C[C@H]1CC2)(CN1C2=O)c(cccc1)c1Cl)=O)c1)c1OC

InChI

InChI=1S/C23H25ClN2O4/c1-29-19-9-7-15(11-20(19)30-2)13-25-22(28)23(17-5-3-4-6-18(17)24)12-16-8-10-21(27)26(16)14-23/h3-7,9,11,16H,8,10,12-14H2,1-2H3,(H,25,28)/t16-,23+/m0/s1

InChI Key

YOVBIEFWWWAWFV-QMHKHESXSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

428.92

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

2.573

Distribution Coefficient, logD

2.573

Water Solubility, LogSw

-3.55

Polar Surface Area

57.187

Acid Dissociation Constant (pKa)

13.12

Base Dissociation Constant (pKb)

-3.47

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

39.13

SC91-0569 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 SC91-0569 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC91-0569?
Check Price and Availability of SC91-0569, 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 SC91-0569 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC91-0569
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC91-0569
  • 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 SC91-0569 available by request