SB23-1211 Screening compound: 1-[(3aR,7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-1211 Screening compound: 1-[(3aR,7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-1211 Screening compound: 1-[(3aR,7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-1211
1-[(3aR,7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

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

SB23-1211

Molecular Formula

C23H31N5O3 (C23 H31 N5 O3)

Compound Name

1-[(3aR,7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

IUPAC name

1-[(3aR7aS)-5-[2-(3-methoxyphenyl)acetyl]-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridin-2-yl]-2-methylpropan-1-one

SMILES

CC(C)C(N(C[C@H]1CN(CC2)C(Cc3cc(OC)ccc3)=O)C[C@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C23H31N5O3/c1-15(2)21(30)28-13-18-12-27(20(29)11-17-6-5-7-19(10-17)31-4)9-8-23(18,14-28)22-24-16(3)25-26-22/h5-7,10,15,18H,8-9,11-14H2,1-4H3,(H,24,25,26)/t18-,23+/m0/s1

InChI Key

RJWDQQUXYOQSCE-FDDCHVKYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.53

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

2.151

Distribution Coefficient, logD

2.151

Water Solubility, LogSw

-2.72

Polar Surface Area

74.115

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

56.52

References: we are preparing a list of scientific research reports with SB23-1211 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1211?
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What is the minimum amount of SB23-1211 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1211
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1211
  • 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 SB23-1211 available by request