SB23-0625 Screening compound: 1-[(3aR,7aS)-5-(2,4-dimethoxybenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone

SB23-0625 Screening compound: 1-[(3aR,7aS)-5-(2,4-dimethoxybenzyl)-7a-(3-methyl-1H-1,2,4-triazol-5-yl)octahydro-2H-pyrrolo[3,4-c]pyridin-2-yl]-2-methyl-1-propanone
SB23-0625 Screening compound: 1-[(3aR,7aS)-5-(2,4-dimethoxybenzyl)-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 SB23-0625
1-[(3aR,7aS)-5-(2,4-dimethoxybenzyl)-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

SB23-0625

Molecular Formula

C23H33N5O3 (C23 H33 N5 O3)

Compound Name

1-[(3aR,7aS)-5-(2,4-dimethoxybenzyl)-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-[(24-dimethoxyphenyl)methyl]-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(Cc(ccc(OC)c2)c2OC)CC2)C[C@]12c1nc(C)n[nH]1)=O

InChI

InChI=1S/C23H33N5O3/c1-15(2)21(29)28-13-18-12-27(11-17-6-7-19(30-4)10-20(17)31-5)9-8-23(18,14-28)22-24-16(3)25-26-22/h6-7,10,15,18H,8-9,11-14H2,1-5H3,(H,24,25,26)/t18-,23+/m0/s1

InChI Key

VDMVCZRYTSPHDG-FDDCHVKYSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.55

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

2.457

Distribution Coefficient, logD

1.292

Water Solubility, LogSw

-2.86

Polar Surface Area

69.358

Acid Dissociation Constant (pKa)

10.52

Base Dissociation Constant (pKb)

8.53

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

60.87

SB23-0625 in Drug Discovery

Included in Screening Libraries

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB23-0625 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB23-0625?
Check Price and Availability of SB23-0625, 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 SB23-0625 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB23-0625
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB23-0625
  • 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 SB23-0625 available by request