SB76-0566 Screening compound: (3aR,7aR)-2-[2-(4-chlorophenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0566 Screening compound: (3aR,7aR)-2-[2-(4-chlorophenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0566 Screening compound: (3aR,7aR)-2-[2-(4-chlorophenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0566
(3aR,7aR)-2-[2-(4-chlorophenyl)acetyl]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

SB76-0566

Molecular Formula

C15H17ClN2O2 (C15 H17 ClN2 O2)

Compound Name

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

IUPAC name

(3aR7aR)-2-[2-(4-chlorophenyl)acetyl]-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

O=C(Cc(cc1)ccc1Cl)N(C1)C[C@@H](CN2)[C@H]1CC2=O

InChI

InChI=1S/C15H17ClN2O2/c16-13-3-1-10(2-4-13)5-15(20)18-8-11-6-14(19)17-7-12(11)9-18/h1-4,11-12H,5-9H2,(H,17,19)/t11-,12+/m1/s1

InChI Key

QVNRAMWVFOMIDN-NEPJUHHUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

292.76

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

1.240

Distribution Coefficient, logD

1.240

Water Solubility, LogSw

-2.54

Polar Surface Area

41.467

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

46.67

SB76-0566 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 SB76-0566 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0566?
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What is the minimum amount of SB76-0566 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0566
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0566
  • 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 SB76-0566 available by request