E021-0585 Screening compound: N~6~-cyclopentyl-6-methyl-7-(3-morpholinopropyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

Chemical Structure Depiction of ChemDiv screening compound E021-0585
N~6~-cyclopentyl-6-methyl-7-(3-morpholinopropyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

E021-0585

Molecular Formula

C₂₃H₃₂N₄O₃S (C23 H32 N4 O3 S)

Compound Name

N~6~-cyclopentyl-6-methyl-7-(3-morpholinopropyl)-8-oxo-5,6,7,8-tetrahydrothieno[2',3':4,5]pyrrolo[1,2-a]pyrazine-6-carboxamide

IUPAC name

N-cyclopentyl-11-methyl-10-[3-(morpholin-4-yl)propyl]-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CC(Cn1c2cc3c1ccs3)(C(NC1CCCC1)=O)N(CCCN1CCOCC1)C2=O

InChI

InChI=1S/C23H32N4O3S/c1-23(22(29)24-17-5-2-3-6-17)16-26-18-7-14-31-20(18)15-19(26)21(28)27(23)9-4-8-25-10-12-30-13-11-25/h7,14-15,17H,2-6,8-13,16H2,1H3,(H,24,29)/t23-/m0/s1

InChI Key

WCSITVBYYWOENE-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD27597552

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

444.6

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

2.716

Distribution Coefficient, logD

2.491

Water Solubility, LogSw

-3.06

Polar Surface Area

53.991

Acid Dissociation Constant (pK_a)

15.20

Base Dissociation Constant (pK_b)

7.23

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

65.20

E021-0585 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Autophagy-Targeted Library (4564 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Peptidomimetic Library (37031 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Mechanism of action:

PPI modulators
Epigenetic
PPI modulators
PPI modulators

Structure:

Cyclic compounds
Mimetics

Targets:

Others

References: we are preparing a list of scientific research reports with E021-0585 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-0585?
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What is the minimum amount of E021-0585 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E021-0585
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E021-0585

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 E021-0585 available by request