SB23-0717 Screening compound: 1-[(3aR,7aS)-2-[(4-ethylphenyl)sulfonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone

SB23-0717 Screening compound: 1-[(3aR,7aS)-2-[(4-ethylphenyl)sulfonyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridin-5-yl]-2-methoxy-1-ethanone
SB23-0717 Screening compound: 1-[(3aR,7aS)-2-[(4-ethylphenyl)sulfonyl]-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 SB23-0717
1-[(3aR,7aS)-2-[(4-ethylphenyl)sulfonyl]-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

SB23-0717

Molecular Formula

C21H29N5O4S (C21 H29 N5 O4 S)

Compound Name

1-[(3aR,7aS)-2-[(4-ethylphenyl)sulfonyl]-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-[(3aR7aS)-2-(4-ethylbenzenesulfonyl)-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-5-yl]-2-methoxyethan-1-one

SMILES

CCc(cc1)ccc1S(N(C[C@H]1CN(CC2)C(COC)=O)C[C@]12c1nc(C)n[nH]1)(=O)=O

InChI

InChI=1S/C21H29N5O4S/c1-4-16-5-7-18(8-6-16)31(28,29)26-12-17-11-25(19(27)13-30-3)10-9-21(17,14-26)20-22-15(2)23-24-20/h5-8,17H,4,9-14H2,1-3H3,(H,22,23,24)/t17-,21+/m0/s1

InChI Key

LIQHZTLUYLAWSJ-LAUBAEHRSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

447.56

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.477

Distribution Coefficient, logD

1.476

Water Solubility, LogSw

-2.57

Polar Surface Area

90.058

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

2.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

57.14

SB23-0717 in Drug Discovery

Included in Screening Libraries

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 SB23-0717 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0717?
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What is the minimum amount of SB23-0717 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0717
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0717
  • 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 SB23-0717 available by request