S429-1201 Screening compound: 7-{2-[4-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)-4-METHYLPIPERIDIN-1-YL]-2-OXOETHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

S429-1201 Screening compound: 7-{2-[4-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)-4-METHYLPIPERIDIN-1-YL]-2-OXOETHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE
S429-1201 Screening compound: 7-{2-[4-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)-4-METHYLPIPERIDIN-1-YL]-2-OXOETHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE alternative view

Chemical Structure Depiction of ChemDiv screening compound S429-1201
7-{2-[4-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)-4-METHYLPIPERIDIN-1-YL]-2-OXOETHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

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

S429-1201

Molecular Formula

C20H25N7O4 (C20 H25 N7 O4)

Compound Name

7-{2-[4-(5-CYCLOPROPYL-1,2,4-OXADIAZOL-3-YL)-4-METHYLPIPERIDIN-1-YL]-2-OXOETHYL}-1,3-DIMETHYL-2,3,6,7-TETRAHYDRO-1H-PURINE-2,6-DIONE

IUPAC name

n/a

SMILES

CC(CC1)(CCN1C(Cn1c(C(N(C)C(N2C)=O)=O)c2nc1)=O)c1noc(C2CC2)n1

InChI

InChI=1S/C20H25N7O4/c1-20(18-22-16(31-23-18)12-4-5-12)6-8-26(9-7-20)13(28)10-27-11-21-15-14(27)17(29)25(3)19(30)24(15)2/h11-12H,4-10H2,1-3H3

InChI Key

GAKCBJJBFIIHNM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD30464818

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

427.46

Hydrogen Bond Acceptors Count

10.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

11

Partition Coefficient, logP

1.090

Distribution Coefficient, logD

1.090

Water Solubility, LogSw

-1.35

Polar Surface Area

91.282

Acid Dissociation Constant (pKa)

17.97

Base Dissociation Constant (pKb)

3.14

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

60.00

S429-1201 in Drug Discovery

Included in Screening Libraries

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

Included in 1.7M Stock Database

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

References: we are preparing a list of scientific research reports with S429-1201 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S429-1201?
Check Price and Availability of S429-1201, 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 S429-1201 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S429-1201
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S429-1201
  • 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 S429-1201 available by request