E021-1430 Screening compound: 7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-N~6~-(4-methylcyclohexyl)-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 E021-1430
7-[2-(diethylamino)ethyl]-2-ethyl-6-methyl-N~6~-(4-methylcyclohexyl)-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

E021-1430

Molecular Formula

C₂₆H₄₀N₄O₂S (C26 H40 N4 O2 S)

Compound Name

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

IUPAC name

10-[2-(diethylamino)ethyl]-4-ethyl-11-methyl-N-(4-methylcyclohexyl)-9-oxo-5-thia-110-diazatricyclo[6.4.0.0^{26}]dodeca-2(6)37-triene-11-carboxamide

SMILES

CCc1cc(n(CC(C)(C(NC2CCC(C)CC2)=O)N(CCN(CC)CC)C2=O)c2c2)c2s1

InChI

InChI=1S/C26H40N4O2S/c1-6-20-15-21-23(33-20)16-22-24(31)30(14-13-28(7-2)8-3)26(5,17-29(21)22)25(32)27-19-11-9-18(4)10-12-19/h15-16,18-19H,6-14,17H2,1-5H3,(H,27,32)/t18?,19?,26-/m0/s1

InChI Key

KYWIBCUOQIUMFK-CPHAMLGRSA-N

MDL Number (MFCD)

MFCD14840490

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.7

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.827

Distribution Coefficient, logD

5.129

Water Solubility, LogSw

-5.33

Polar Surface Area

45.417

Acid Dissociation Constant (pK_a)

14.54

Base Dissociation Constant (pK_b)

8.00

Number of Chiral Centers

1.00

Percent sp³ carbon bonding

69.20

E021-1430 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

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

CNS Targets (44014 compounds)

Cyclic Ugi PPI Library (9586 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Protein-Protein Interaction Library (218420 compounds)

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

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

Mechanism of action:

PPI modulators
Epigenetic
PPI modulators

Structure:

Cyclic compounds

Targets:

Others
Kinases

References: we are preparing a list of scientific research reports with E021-1430 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E021-1430?
Check Price and Availability of E021-1430, 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 E021-1430 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for E021-1430
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for E021-1430

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 E021-1430 available by request