P217-1283 Screening compound: N-(SEC-BUTYL)-7-[(3-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE-3-CARBOXAMIDE

P217-1283 Screening compound: N-(SEC-BUTYL)-7-[(3-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE-3-CARBOXAMIDE
P217-1283 Screening compound: N-(SEC-BUTYL)-7-[(3-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE-3-CARBOXAMIDE alternative view

Chemical Structure Depiction of ChemDiv screening compound P217-1283
N-(SEC-BUTYL)-7-[(3-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE-3-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

P217-1283

Molecular Formula

C18H27N3O4S (C18 H27 N3 O4 S)

Compound Name

N-(SEC-BUTYL)-7-[(3-METHYLPHENYL)SULFONYL]-9-OXA-3,7-DIAZABICYCLO[3.3.1]NONANE-3-CARBOXAMIDE

IUPAC name

n/a

SMILES

CCC(C)NC(N(C1)C[C@@H](C2)O[C@@H]1CN2S(c1cc(C)ccc1)(=O)=O)=O

InChI

InChI=1S/C18H27N3O4S/c1-4-14(3)19-18(22)20-9-15-11-21(12-16(10-20)25-15)26(23,24)17-7-5-6-13(2)8-17/h5-8,14-16H,4,9-12H2,1-3H3,(H,19,22)/t14?,15-,16+

InChI Key

PHQADHWFWIVOOI-MQVJKMGUSA-N

MDL Number (MFCD)

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

381.5

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.104

Distribution Coefficient, logD

2.104

Water Solubility, LogSw

-2.79

Polar Surface Area

64.464

Acid Dissociation Constant (pKa)

17.25

Base Dissociation Constant (pKb)

2.72

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

61.10

P217-1283 in Drug Discovery

Included in Screening Libraries

3D Mimetics PPI Library (1617 compounds)

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Epigenetics Focused Set (26518 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

Structure:
  • Mimetics
  • 3D
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with P217-1283 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P217-1283?
Check Price and Availability of P217-1283, 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 P217-1283 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P217-1283
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P217-1283
  • 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 P217-1283 available by request