SB76-0575 Screening compound: (3aR,7aR)-2-[2-(3,5-dimethoxyphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0575 Screening compound: (3aR,7aR)-2-[2-(3,5-dimethoxyphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0575 Screening compound: (3aR,7aR)-2-[2-(3,5-dimethoxyphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0575
(3aR,7aR)-2-[2-(3,5-dimethoxyphenyl)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

SB76-0575

Molecular Formula

C17H22N2O4 (C17 H22 N2 O4)

Compound Name

(3aR,7aR)-2-[2-(3,5-dimethoxyphenyl)acetyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

IUPAC name

(3aR7aR)-2-[2-(35-dimethoxyphenyl)acetyl]-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

COc1cc(CC(N(C2)C[C@@H](CN3)[C@H]2CC3=O)=O)cc(OC)c1

InChI

InChI=1S/C17H22N2O4/c1-22-14-3-11(4-15(7-14)23-2)5-17(21)19-9-12-6-16(20)18-8-13(12)10-19/h3-4,7,12-13H,5-6,8-10H2,1-2H3,(H,18,20)/t12-,13+/m1/s1

InChI Key

ZYJFWSHPKKXLMU-OLZOCXBDSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

318.37

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

0.712

Distribution Coefficient, logD

0.712

Water Solubility, LogSw

-1.74

Polar Surface Area

56.555

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

7.22

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.94

SB76-0575 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB76-0575 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0575?
Check Price and Availability of SB76-0575, 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 SB76-0575 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0575
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0575
  • 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 SB76-0575 available by request