S368-1015 Screening compound: ethyl 2-{[6-(4-bromophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]formamido}acetate

S368-1015 Screening compound: ethyl 2-{[6-(4-bromophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]formamido}acetate
S368-1015 Screening compound: ethyl 2-{[6-(4-bromophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]formamido}acetate alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-1015
ethyl 2-{[6-(4-bromophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]formamido}acetate

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

S368-1015

Molecular Formula

C17H18BrN3O4 (C17 H18 BrN3 O4)

Compound Name

ethyl 2-{[6-(4-bromophenyl)-4H,6H,7H-pyrazolo[3,2-c][1,4]oxazin-2-yl]formamido}acetate

IUPAC name

ethyl 2-{[6-(4-bromophenyl)-4H6H7H-pyrazolo[32-c][14]oxazin-2-yl]formamido}acetate

SMILES

CCOC(CNC(c1nn(CC(c(cc2)ccc2Br)OC2)c2c1)=O)=O

InChI

InChI=1S/C17H18BrN3O4/c1-2-24-16(22)8-19-17(23)14-7-13-10-25-15(9-21(13)20-14)11-3-5-12(18)6-4-11/h3-7,15H,2,8-10H2,1H3,(H,19,23)/t15-/m0/s1

InChI Key

FKLUGRUZZUDSIG-HNNXBMFYSA-N

MDL Number (MFCD)

MFCD29001378

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

408.25

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

2.347

Distribution Coefficient, logD

2.347

Water Solubility, LogSw

-2.79

Polar Surface Area

66.825

Acid Dissociation Constant (pKa)

13.48

Base Dissociation Constant (pKb)

-3.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

35.30

S368-1015 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 compounds)

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

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

Protein-Protein Interaction Library (218420 compounds)

Beyond the Flatland Library sp3 enriched (92988 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Mimetics
  • Cyclic compounds
Agro:
  • Agro

References: we are preparing a list of scientific research reports with S368-1015 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-1015?
Check Price and Availability of S368-1015, 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 S368-1015 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-1015
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-1015
  • 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 S368-1015 available by request