S384-1134 Screening compound: ethyl 4-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-amido]piperidine-1-carboxylate

S384-1134 Screening compound: ethyl 4-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-amido]piperidine-1-carboxylate
S384-1134 Screening compound: ethyl 4-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-amido]piperidine-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound S384-1134
ethyl 4-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-amido]piperidine-1-carboxylate

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

S384-1134

Molecular Formula

C21H27N5O4 (C21 H27 N5 O4)

Compound Name

ethyl 4-[6-(4-methylphenyl)-4H,6H,7H-[1,2,3]triazolo[4,3-c][1,4]oxazine-3-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[6-(4-methylphenyl)-4H6H7H-[123]triazolo[43-c][14]oxazine-3-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c1c(COC(C2)c3ccc(C)cc3)n2nn1)=O)=O

InChI

InChI=1S/C21H27N5O4/c1-3-29-21(28)25-10-8-16(9-11-25)22-20(27)19-17-13-30-18(12-26(17)24-23-19)15-6-4-14(2)5-7-15/h4-7,16,18H,3,8-13H2,1-2H3,(H,22,27)/t18-/m1/s1

InChI Key

ACAAPULTCLDESI-GOSISDBHSA-N

MDL Number (MFCD)

MFCD29032949

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.48

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

9

Partition Coefficient, logP

1.740

Distribution Coefficient, logD

1.740

Water Solubility, LogSw

-2.19

Polar Surface Area

81.678

Acid Dissociation Constant (pKa)

14.44

Base Dissociation Constant (pKb)

3.85

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

52.40

S384-1134 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

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

Eccentric PPI Library (11937 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Male
  • Female
  • Hemic and lymphatic
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds
  • Mimetics
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with S384-1134 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S384-1134?
Check Price and Availability of S384-1134, 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 S384-1134 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for S384-1134
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for S384-1134
  • 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 S384-1134 available by request