SB23-0614 Screening compound: 1-[(3aR,7aS)-5-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-0614 Screening compound: 1-[(3aR,7aS)-5-[2-(3,5-dimethyl-4-isoxazolyl)acetyl]-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-0614 Screening compound: 1-[(3aR,7aS)-5-[2-(3,5-dimethyl-4-isoxazolyl)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 SB23-0614
1-[(3aR,7aS)-5-[2-(3,5-dimethyl-4-isoxazolyl)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

SB23-0614

Molecular Formula

C21H30N6O3 (C21 H30 N6 O3)

Compound Name

1-[(3aR,7aS)-5-[2-(3,5-dimethyl-4-isoxazolyl)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-(35-dimethyl-12-oxazol-4-yl)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(Cc3c(C)onc3C)=O)C[C@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C21H30N6O3/c1-12(2)19(29)27-10-16-9-26(18(28)8-17-13(3)25-30-14(17)4)7-6-21(16,11-27)20-22-15(5)23-24-20/h12,16H,6-11H2,1-5H3,(H,22,23,24)/t16-,21+/m0/s1

InChI Key

YOHHWMDELQUQAC-HRAATJIYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

414.51

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.159

Distribution Coefficient, logD

1.159

Water Solubility, LogSw

-1.62

Polar Surface Area

88.610

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

3.87

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

66.67

SB23-0614 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB23-0614 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0614?
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What is the minimum amount of SB23-0614 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0614
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0614
  • 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 SB23-0614 available by request