SB76-0557 Screening compound: (3aR,7aR)-2-[4-(trifluoromethyl)benzyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0557 Screening compound: (3aR,7aR)-2-[4-(trifluoromethyl)benzyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0557 Screening compound: (3aR,7aR)-2-[4-(trifluoromethyl)benzyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0557
(3aR,7aR)-2-[4-(trifluoromethyl)benzyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-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

SB76-0557

Molecular Formula

C15H17F3N2O (C15 H17 F3 N2 O)

Compound Name

(3aR,7aR)-2-[4-(trifluoromethyl)benzyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

IUPAC name

(3aR7aR)-2-{[4-(trifluoromethyl)phenyl]methyl}-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

O=C1NC[C@H](CN(Cc2ccc(C(F)(F)F)cc2)C2)[C@H]2C1

InChI

InChI=1S/C15H17F3N2O/c16-15(17,18)13-3-1-10(2-4-13)7-20-8-11-5-14(21)19-6-12(11)9-20/h1-4,11-12H,5-9H2,(H,19,21)/t11-,12+/m1/s1

InChI Key

IHJHRROYGACUGL-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

298.31

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

1.745

Distribution Coefficient, logD

-3.368

Water Solubility, LogSw

-2.42

Polar Surface Area

29.079

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

12.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

53.33

SB76-0557 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with SB76-0557 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0557?
Check Price and Availability of SB76-0557, 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 SB76-0557 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0557
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0557
  • 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 SB76-0557 available by request