SB23-1173 Screening compound: (3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

SB23-1173 Screening compound: (3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide
SB23-1173 Screening compound: (3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-1173
(3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

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

SB23-1173

Molecular Formula

C21H27ClN6O3 (C21 H27 ClN6 O3)

Compound Name

(3aR,7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridine-2-carboxamide

IUPAC name

(3aR7aS)-N-(2-chloro-4-methylphenyl)-5-(2-methoxyacetyl)-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridine-2-carboxamide

SMILES

Cc1n[nH]c([C@@](CN(C2)C(Nc(ccc(C)c3)c3Cl)=O)(CC3)[C@@H]2CN3C(COC)=O)n1

InChI

InChI=1S/C21H27ClN6O3/c1-13-4-5-17(16(22)8-13)24-20(30)28-10-15-9-27(18(29)11-31-3)7-6-21(15,12-28)19-23-14(2)25-26-19/h4-5,8,15H,6-7,9-12H2,1-3H3,(H,24,30)(H,23,25,26)/t15-,21+/m0/s1

InChI Key

OBKQEWDHZWMBIQ-YCRPNKLZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

446.94

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.822

Distribution Coefficient, logD

1.822

Water Solubility, LogSw

-2.70

Polar Surface Area

83.118

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.51

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

52.38

SB23-1173 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 SB23-1173 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1173?
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What is the minimum amount of SB23-1173 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1173
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1173
  • 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 SB23-1173 available by request