SC91-0669 Screening compound: (6R,7aS)-6-{[4-(3,4-dimethylbenzyl)piperazino]carbonyl}-6-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one

SC91-0669 Screening compound: (6R,7aS)-6-{[4-(3,4-dimethylbenzyl)piperazino]carbonyl}-6-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one
SC91-0669 Screening compound: (6R,7aS)-6-{[4-(3,4-dimethylbenzyl)piperazino]carbonyl}-6-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SC91-0669
(6R,7aS)-6-{[4-(3,4-dimethylbenzyl)piperazino]carbonyl}-6-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one

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

SC91-0669

Molecular Formula

C27H32FN3O2 (C27 H32 FN3 O2)

Compound Name

(6R,7aS)-6-{[4-(3,4-dimethylbenzyl)piperazino]carbonyl}-6-(4-fluorophenyl)hexahydro-3H-pyrrolizin-3-one

IUPAC name

(6R7aS)-6-{4-[(34-dimethylphenyl)methyl]piperazine-1-carbonyl}-6-(4-fluorophenyl)-hexahydro-1H-pyrrolizin-3-one

SMILES

Cc1c(C)cc(CN(CC2)CCN2C([C@](C[C@H]2CC3)(CN2C3=O)c(cc2)ccc2F)=O)cc1

InChI

InChI=1S/C27H32FN3O2/c1-19-3-4-21(15-20(19)2)17-29-11-13-30(14-12-29)26(33)27(22-5-7-23(28)8-6-22)16-24-9-10-25(32)31(24)18-27/h3-8,15,24H,9-14,16-18H2,1-2H3/t24-,27+/m0/s1

InChI Key

WOTONTAJOVKWHR-RPLLCQBOSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

449.57

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.422

Distribution Coefficient, logD

3.063

Water Solubility, LogSw

-3.50

Polar Surface Area

37.702

Acid Dissociation Constant (pKa)

15.64

Base Dissociation Constant (pKb)

7.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

48.15

SC91-0669 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 SC91-0669 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SC91-0669?
Check Price and Availability of SC91-0669, 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 SC91-0669 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SC91-0669
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SC91-0669
  • 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 SC91-0669 available by request