SB75-0163 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-methylisonicotinamide

SB75-0163 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-methylisonicotinamide
SB75-0163 Screening compound: N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-methylisonicotinamide alternative view

Chemical Structure Depiction of ChemDiv screening compound SB75-0163
N~4~-[(3aR,5R,6aR)-2-isobutyryl-3a-(3-methyl-1,2,4-oxadiazol-5-yl)octahydrocyclopenta[c]pyrrol-5-yl]-2-methylisonicotinamide

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

SB75-0163

Molecular Formula

C21H27N5O3 (C21 H27 N5 O3)

Compound Name

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

IUPAC name

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

SMILES

CC(C)C(N(C[C@@H]1C[C@H](C2)NC(c3cc(C)ncc3)=O)C[C@@]12c1nc(C)no1)=O

InChI

InChI=1S/C21H27N5O3/c1-12(2)19(28)26-10-16-8-17(24-18(27)15-5-6-22-13(3)7-15)9-21(16,11-26)20-23-14(4)25-29-20/h5-7,12,16-17H,8-11H2,1-4H3,(H,24,27)/t16-,17-,21+/m1/s1

InChI Key

QPBKTJOJXSOKTP-LZJOCLMNSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

1.642

Distribution Coefficient, logD

1.640

Water Solubility, LogSw

-2.08

Polar Surface Area

81.769

Acid Dissociation Constant (pKa)

11.92

Base Dissociation Constant (pKb)

5.08

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

57.14

SB75-0163 in Drug Discovery

Included in Screening Libraries

KRAS-Targeted Library (16000 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases
Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with SB75-0163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB75-0163?
Check Price and Availability of SB75-0163, 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 SB75-0163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB75-0163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB75-0163
  • 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 SB75-0163 available by request