S259-1688 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylethyl)-1,4-diazepane-1-carboxamide

S259-1688 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylethyl)-1,4-diazepane-1-carboxamide
S259-1688 Screening compound: 4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylethyl)-1,4-diazepane-1-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S259-1688
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylethyl)-1,4-diazepane-1-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

S259-1688

Molecular Formula

C20H28N4O2 (C20 H28 N4 O2)

Compound Name

4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-(2-phenylethyl)-1,4-diazepane-1-carboxamide

IUPAC name

4-[(35-dimethyl-12-oxazol-4-yl)methyl]-N-(2-phenylethyl)-14-diazepane-1-carboxamide

SMILES

Cc1noc(C)c1CN(CCC1)CCN1C(NCCc1ccccc1)=O

InChI

InChI=1S/C20H28N4O2/c1-16-19(17(2)26-22-16)15-23-11-6-12-24(14-13-23)20(25)21-10-9-18-7-4-3-5-8-18/h3-5,7-8H,6,9-15H2,1-2H3,(H,21,25)

InChI Key

TYADFZUXHBQHTI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28042096

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

356.47

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.221

Distribution Coefficient, logD

-1.365

Water Solubility, LogSw

-2.61

Polar Surface Area

52.781

Acid Dissociation Constant (pKa)

15.89

Base Dissociation Constant (pKb)

10.99

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

50.00

S259-1688 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

Bromodomain Modulators Library (5801 compounds)

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Hemic and lymphatic
  • Nervous system
Mechanism of action:
  • PPI modulators

References: we are preparing a list of scientific research reports with S259-1688 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S259-1688?
Check Price and Availability of S259-1688, 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 S259-1688 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S259-1688
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S259-1688
  • 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 S259-1688 available by request