E538-0290 Screening compound: N-cyclohexyl-10-acetamido-8-fluoro-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E538-0290
N-cyclohexyl-10-acetamido-8-fluoro-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-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

E538-0290

Molecular Formula

C₂₇H₃₀FN₅O₃ (C27 H30 FN5 O3)

Compound Name

N-cyclohexyl-10-acetamido-8-fluoro-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H,2H,3H,4H-pyrazino[1,2-a]indole-3-carboxamide

IUPAC name

N-cyclohexyl-10-acetamido-8-fluoro-3-methyl-1-oxo-2-[(pyridin-2-yl)methyl]-1H2H3H4H-pyrazino[12-a]indole-3-carboxamide

SMILES

CC(Cn(c(cc1)c2cc1F)c1c2NC(C)=O)(C(NC2CCCCC2)=O)N(Cc2ncccc2)C1=O

InChI

InChI=1S/C27H30FN5O3/c1-17(34)30-23-21-14-18(28)11-12-22(21)32-16-27(2,26(36)31-19-8-4-3-5-9-19)33(25(35)24(23)32)15-20-10-6-7-13-29-20/h6-7,10-14,19H,3-5,8-9,15-16H2,1-2H3,(H,30,34)(H,31,36)/t27-/m0/s1

InChI Key

JABMJCMTWATJBZ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD27600035

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

491.57

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

2.578

Distribution Coefficient, logD

2.565

Water Solubility, LogSw

-2.87

Polar Surface Area

71.922

Acid Dissociation Constant (pK_a)

8.92

Base Dissociation Constant (pK_b)

3.69

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

40.70

E538-0290 in Drug Discovery

Included in Screening Libraries

Antifungal Library (16415 compounds)

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

PPI Inhibitors Tripeptide Mimetics (23972 compounds)

Protein-Protein Interaction Library (218420 compounds)

Serine Proteases Inhibitors Library (32732 compounds)

Developmental Pathway (Hh/Wnt) Set (2238 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Infections
Immune system
animal
Nervous system
Infections
Cancer
Musculoskeletal
Digestive system
Respiratory tract
Male
Female
Cardiovascular
Skin
Metabolic
Immune system
Cancer
Digestive system
Female
Hemic and lymphatic
Skin

Agro:

Agro

Mechanism of action:

PPI modulators
PPI modulators
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Mimetics
Mimetics

Targets:

Proteases
Others

References: we are preparing a list of scientific research reports with E538-0290 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E538-0290?
Check Price and Availability of E538-0290, 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 E538-0290 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E538-0290
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E538-0290

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 E538-0290 available by request