S259-1568 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone

S259-1568 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone
S259-1568 Screening compound: {4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-1568
{4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone

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

S259-1568

Molecular Formula

C17H25N5O2 (C17 H25 N5 O2)

Compound Name

{4-[(3,5-dimethyl-4-isoxazolyl)methyl]-1,4-diazepan-1-yl}(1-ethyl-1H-pyrazol-3-yl)methanone

IUPAC name

1-[(35-dimethyl-12-oxazol-4-yl)methyl]-4-(1-ethyl-1H-pyrazole-3-carbonyl)-14-diazepane

SMILES

CCn(cc1)nc1C(N1CCN(Cc2c(C)onc2C)CCC1)=O

InChI

InChI=1S/C17H25N5O2/c1-4-22-9-6-16(18-22)17(23)21-8-5-7-20(10-11-21)12-15-13(2)19-24-14(15)3/h6,9H,4-5,7-8,10-12H2,1-3H3

InChI Key

ADNKHYIYROLZIO-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042091

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.42

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

0.752

Distribution Coefficient, logD

-0.718

Water Solubility, LogSw

-1.36

Polar Surface Area

57.181

Acid Dissociation Constant (pKa)

25.21

Base Dissociation Constant (pKb)

8.85

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

58.82

S259-1568 in Drug Discovery

Included in Screening Libraries

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S259-1568 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-1568?
Check Price and Availability of S259-1568, 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 S259-1568 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-1568
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-1568
  • 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 S259-1568 available by request