S428-1185 Screening compound: 2-methyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

S428-1185 Screening compound: 2-methyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole
S428-1185 Screening compound: 2-methyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole alternative view

Chemical Structure Depiction of ChemDiv screening compound S428-1185
2-methyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

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

S428-1185

Molecular Formula

C30H35N5O3 (C30 H35 N5 O3)

Compound Name

2-methyl-5-{3-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-1,3-benzodiazole

IUPAC name

2-methyl-5-{3-[3-(oxan-4-yl)-124-oxadiazol-5-yl]piperidine-1-carbonyl}-1-[4-(propan-2-yl)phenyl]-1H-13-benzodiazole

SMILES

CC(C)c(cc1)ccc1-n1c(ccc(C(N(CCC2)CC2c2nc(C3CCOCC3)no2)=O)c2)c2nc1C

InChI

InChI=1S/C30H35N5O3/c1-19(2)21-6-9-25(10-7-21)35-20(3)31-26-17-23(8-11-27(26)35)30(36)34-14-4-5-24(18-34)29-32-28(33-38-29)22-12-15-37-16-13-22/h6-11,17,19,22,24H,4-5,12-16,18H2,1-3H3/t24-/m0/s1

InChI Key

HRWVASAQVZILLO-DEOSSOPVSA-N

MDL Number (MFCD)

MFCD29011839

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

513.64

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

5.217

Distribution Coefficient, logD

5.159

Water Solubility, LogSw

-5.05

Polar Surface Area

67.776

Acid Dissociation Constant (pKa)

24.08

Base Dissociation Constant (pKb)

6.56

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

46.70

S428-1185 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

PI3K-Targeted Library (17255 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Alpha-Helix Mimetics Library (25899 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Nervous system
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Endocrine
Targets:
  • Kinases
  • Phosphatases
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Mimetics

References: we are preparing a list of scientific research reports with S428-1185 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S428-1185?
Check Price and Availability of S428-1185, 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 S428-1185 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S428-1185
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S428-1185
  • 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 S428-1185 available by request