SB66-1125 Screening compound: (5aR,8aR)-1-benzyl-7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

SB66-1125 Screening compound: (5aR,8aR)-1-benzyl-7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one
SB66-1125 Screening compound: (5aR,8aR)-1-benzyl-7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB66-1125
(5aR,8aR)-1-benzyl-7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

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

SB66-1125

Molecular Formula

C22H28N4O2 (C22 H28 N4 O2)

Compound Name

(5aR,8aR)-1-benzyl-7-[2-(3,5-dimethyl-1H-pyrazol-1-yl)acetyl]octahydropyrrolo[3,4-b]azepin-2(1H)-one

IUPAC name

(5aR8aR)-1-benzyl-7-[2-(35-dimethyl-1H-pyrazol-1-yl)acetyl]-decahydropyrrolo[34-b]azepin-2-one

SMILES

Cc1cc(C)nn1CC(N(C[C@H]1CCC2)C[C@@H]1N(Cc1ccccc1)C2=O)=O

InChI

InChI=1S/C22H28N4O2/c1-16-11-17(2)26(23-16)15-22(28)24-13-19-9-6-10-21(27)25(20(19)14-24)12-18-7-4-3-5-8-18/h3-5,7-8,11,19-20H,6,9-10,12-15H2,1-2H3/t19-,20-/m0/s1

InChI Key

JERLTIFBPLZQGY-PMACEKPBSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

380.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

1.114

Distribution Coefficient, logD

1.114

Water Solubility, LogSw

-1.88

Polar Surface Area

46.664

Acid Dissociation Constant (pKa)

23.63

Base Dissociation Constant (pKb)

0.33

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

50.00

SB66-1125 in Drug Discovery

Included in Screening Libraries

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB66-1125 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB66-1125?
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What is the minimum amount of SB66-1125 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB66-1125
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB66-1125
  • 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 SB66-1125 available by request