SB76-0527 Screening compound: (3aR,7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

SB76-0527 Screening compound: (3aR,7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one
SB76-0527 Screening compound: (3aR,7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB76-0527
(3aR,7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]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

SB76-0527

Molecular Formula

C13H18N4O2 (C13 H18 N4 O2)

Compound Name

(3aR,7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]octahydro-6H-pyrrolo[3,4-c]pyridin-6-one

IUPAC name

(3aR7aR)-2-[3-(1H-pyrazol-1-yl)propanoyl]-octahydro-1H-pyrrolo[34-c]pyridin-6-one

SMILES

O=C(CCn1nccc1)N(C1)C[C@@H](CN2)[C@H]1CC2=O

InChI

InChI=1S/C13H18N4O2/c18-12-6-10-8-16(9-11(10)7-14-12)13(19)2-5-17-4-1-3-15-17/h1,3-4,10-11H,2,5-9H2,(H,14,18)/t10-,11+/m1/s1

InChI Key

GEXOCQYSMKGGOY-MNOVXSKESA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

262.31

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

-1.226

Distribution Coefficient, logD

-1.226

Water Solubility, LogSw

-0.78

Polar Surface Area

56.240

Acid Dissociation Constant (pKa)

15.50

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

61.54

SB76-0527 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB76-0527 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB76-0527?
Check Price and Availability of SB76-0527, 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 SB76-0527 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB76-0527
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB76-0527
  • 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 SB76-0527 available by request