SB75-1100 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide

SB75-1100 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide
SB75-1100 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-1100
N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide

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

SB75-1100

Molecular Formula

C24H28N6O3 (C24 H28 N6 O3)

Compound Name

N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide

IUPAC name

N-[(3aR5R6aR)-3a-(3-methyl-124-oxadiazol-5-yl)-2-(2-methylpropanoyl)-octahydrocyclopenta[c]pyrrol-5-yl]-3-phenyl-1H-pyrazole-4-carboxamide

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(c3c[nH]nc3-c3ccccc3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C24H28N6O3/c1-14(2)22(32)30-12-17-9-18(10-24(17,13-30)23-26-15(3)29-33-23)27-21(31)19-11-25-28-20(19)16-7-5-4-6-8-16/h4-8,11,14,17-18H,9-10,12-13H2,1-3H3,(H,25,28)(H,27,31)/t17-,18-,24+/m1/s1

InChI Key

OZZFUTZPIUQCMO-GGUMNFRJSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

448.52

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

2.719

Distribution Coefficient, logD

2.719

Water Solubility, LogSw

-3.30

Polar Surface Area

97.104

Acid Dissociation Constant (pKa)

11.61

Base Dissociation Constant (pKb)

7.49

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

45.83

SB75-1100 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Regenerative Medicine Focused Library (23016 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Digestive system
  • Hemic and lymphatic
  • Cardiovascular
  • Skin
  • wounds
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Phosphatases

References: we are preparing a list of scientific research reports with SB75-1100 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-1100?
Check Price and Availability of SB75-1100, 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 SB75-1100 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-1100
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-1100
  • 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 SB75-1100 available by request