SB23-0754 Screening compound: 1-[(3aS,7aS)-2-(cyclopentylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

SB23-0754 Screening compound: 1-[(3aS,7aS)-2-(cyclopentylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone
SB23-0754 Screening compound: 1-[(3aS,7aS)-2-(cyclopentylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-0754
1-[(3aS,7aS)-2-(cyclopentylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

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

SB23-0754

Molecular Formula

C19H29N5O3 (C19 H29 N5 O3)

Compound Name

1-[(3aS,7aS)-2-(cyclopentylcarbonyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

IUPAC name

1-[(3aS7aS)-2-cyclopentanecarbonyl-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-methoxyethan-1-one

SMILES

Cc1n[nH]c([C@@](CN(C2)C(C3CCCC3)=O)(CC3)[C@@H]2CN3C(COC)=O)n1

InChI

InChI=1S/C19H29N5O3/c1-13-20-18(22-21-13)19-7-8-23(16(25)11-27-2)9-15(19)10-24(12-19)17(26)14-5-3-4-6-14/h14-15H,3-12H2,1-2H3,(H,20,21,22)/t15-,19+/m0/s1

InChI Key

PVWFRURVSCSHCE-HNAYVOBHSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

HCl

Molecular Weight

375.47

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

0.508

Distribution Coefficient, logD

0.508

Water Solubility, LogSw

-1.01

Polar Surface Area

75.554

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.95

SB23-0754 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 SB23-0754 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0754?
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What is the minimum amount of SB23-0754 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0754
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0754
  • 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 SB23-0754 available by request