S368-1017 Screening compound: N~2~-(2-amino-2-oxoethyl)-6-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

S368-1017 Screening compound: N~2~-(2-amino-2-oxoethyl)-6-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide
S368-1017 Screening compound: N~2~-(2-amino-2-oxoethyl)-6-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound S368-1017
N~2~-(2-amino-2-oxoethyl)-6-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-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

S368-1017

Molecular Formula

C15H15BrN4O3 (C15 H15 BrN4 O3)

Compound Name

N~2~-(2-amino-2-oxoethyl)-6-(4-bromophenyl)-6,7-dihydro-4H-pyrazolo[5,1-c][1,4]oxazine-2-carboxamide

IUPAC name

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

SMILES

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

InChI

InChI=1S/C15H15BrN4O3/c16-10-3-1-9(2-4-10)13-7-20-11(8-23-13)5-12(19-20)15(22)18-6-14(17)21/h1-5,13H,6-8H2,(H2,17,21)(H,18,22)/t13-/m0/s1

InChI Key

HCALMUQRYRAEJS-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD29001379

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

379.21

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

1.166

Distribution Coefficient, logD

1.166

Water Solubility, LogSw

-2.06

Polar Surface Area

80.055

Acid Dissociation Constant (pKa)

14.18

Base Dissociation Constant (pKb)

3.36

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.67

S368-1017 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Antiviral Library (67538 compounds)

Bcl2-PPI Inhibitors Library (12246 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 S368-1017 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S368-1017?
Check Price and Availability of S368-1017, 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 S368-1017 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S368-1017
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S368-1017
  • 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 S368-1017 available by request