SB23-1036 Screening compound: (3aS,7aS)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide

SB23-1036 Screening compound: (3aS,7aS)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide
SB23-1036 Screening compound: (3aS,7aS)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB23-1036
(3aS,7aS)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide

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

SB23-1036

Molecular Formula

C14H24N6O3S (C14 H24 N6 O3 S)

Compound Name

(3aS,7aS)-2-acetyl-N,N-dimethyl-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-5H-pyrrolo[3,4-c]pyridine-5-sulfonamide

IUPAC name

(3aS7aS)-2-acetyl-NN-dimethyl-7a-(3-methyl-1H-124-triazol-5-yl)-octahydro-1H-pyrrolo[34-c]pyridine-5-sulfonamide

SMILES

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

InChI

InChI=1S/C14H24N6O3S/c1-10-15-13(17-16-10)14-5-6-20(24(22,23)18(3)4)8-12(14)7-19(9-14)11(2)21/h12H,5-9H2,1-4H3,(H,15,16,17)/t12-,14+/m0/s1

InChI Key

QCLBGVMPCVFMDH-GXTWGEPZSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.45

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

-0.595

Distribution Coefficient, logD

-0.596

Water Solubility, LogSw

-1.60

Polar Surface Area

86.988

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

4.25

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

78.57

SB23-1036 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 SB23-1036 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-1036?
Check Price and Availability of SB23-1036, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of SB23-1036 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-1036
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-1036
  • 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 SB23-1036 available by request