S357-0121 Screening compound: N-[(3,5-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

Chemical Structure Depiction of ChemDiv screening compound S357-0121
N-[(3,5-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-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)

Check Price and Availability

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

S357-0121

Molecular Formula

C₂₆H₂₅F₃N₄O₃ (C26 H25 F3 N4 O3)

Compound Name

N-[(3,5-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-5H,6H,8H-imidazo[4,3-c][1,4]oxazine-1-carbonyl]piperidine-4-carboxamide

IUPAC name

N-[(35-difluorophenyl)methyl]-1-[6-(4-fluorophenyl)-5H6H8H-imidazo[43-c][14]oxazine-1-carbonyl]piperidine-4-carboxamide

SMILES

O=C(C(CC1)CCN1C(c1c(COC(C2)c(cc3)ccc3F)n2cn1)=O)NCc1cc(F)cc(F)c1

InChI

InChI=1S/C26H25F3N4O3/c27-19-3-1-17(2-4-19)23-13-33-15-31-24(22(33)14-36-23)26(35)32-7-5-18(6-8-32)25(34)30-12-16-9-20(28)11-21(29)10-16/h1-4,9-11,15,18,23H,5-8,12-14H2,(H,30,34)/t23-/m1/s1

InChI Key

YPGGETRXWQIOCN-HSZRJFAPSA-N

MDL Number (MFCD)

MFCD29000838

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

498.5

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.308

Distribution Coefficient, logD

2.308

Water Solubility, LogSw

-2.74

Polar Surface Area

60.983

Acid Dissociation Constant (pK_a)

12.56

Base Dissociation Constant (pK_b)

-0.41

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

34.60

S357-0121 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

Bromodomain Modulators Library (5801 compounds)

Immunological Library (6760 compounds)

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

Protein-Protein Interaction Library (218420 compounds)

Indoleamine 2,3-dioxygenase 1 Focused Library (5816 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Antiviral
Infections
Immune system
Immune system
Cancer
Digestive system
Female
Hemic and lymphatic
Metabolic
Immune system
Cancer
Musculoskeletal
Female
Hemic and lymphatic
Cardiovascular

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
Epigenetic

Structure:

Mimetics

Targets:

Others

References: we are preparing a list of scientific research reports with S357-0121 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound S357-0121?
Check Price and Availability of S357-0121, 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 S357-0121 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for S357-0121
ChemDiv sends parcels with Express services (UPS, WC).

1–2 days for small orders
2–4 weeks for large selections

Delivery formats for S357-0121

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 S357-0121 available by request