SB23-0899 Screening compound: [(3aR,7aS)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

SB23-0899 Screening compound: [(3aR,7aS)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone
SB23-0899 Screening compound: [(3aR,7aS)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-0899
[(3aR,7aS)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

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

SB23-0899

Molecular Formula

C22H33N7O (C22 H33 N7 O)

Compound Name

[(3aR,7aS)-5-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl](cyclopropyl)methanone

IUPAC name

5-[(3aR7aS)-2-cyclopropanecarbonyl-5-[(1-ethyl-35-dimethyl-1H-pyrazol-4-yl)methyl]-octahydro-1H-pyrrolo[34-c]pyridin-7a-yl]-3-methyl-1H-124-triazole

SMILES

CCn1nc(C)c(CN(CC2)C[C@H](CN(C3)C(C4CC4)=O)[C@]23c2nc(C)n[nH]2)c1C

InChI

InChI=1S/C22H33N7O/c1-5-29-15(3)19(14(2)26-29)12-27-9-8-22(21-23-16(4)24-25-21)13-28(11-18(22)10-27)20(30)17-6-7-17/h17-18H,5-13H2,1-4H3,(H,23,24,25)/t18-,22+/m0/s1

InChI Key

VKUZKVXLJFHIGO-PGRDOPGGSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

411.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.206

Distribution Coefficient, logD

-4.377

Water Solubility, LogSw

-1.54

Polar Surface Area

68.713

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

13.04

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

72.73

SB23-0899 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 SB23-0899 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0899?
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What is the minimum amount of SB23-0899 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0899
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0899
  • 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 SB23-0899 available by request