C301-0734 Screening compound: ethyl 4-[(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-amido]piperidine-1-carboxylate

Chemical Structure Depiction of ChemDiv screening compound C301-0734
ethyl 4-[(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-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)

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Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C301-0734

Molecular Formula

C₃₁H₃₆N₄O₅ (C31 H36 N4 O5)

Compound Name

ethyl 4-[(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-3-oxo-1,2,3,4-tetrahydroquinoxaline-6-amido]piperidine-1-carboxylate

IUPAC name

ethyl 4-[(2Z)-2-[2-(4-cyclohexylphenyl)-2-oxoethylidene]-3-oxo-1234-tetrahydroquinoxaline-6-amido]piperidine-1-carboxylate

SMILES

CCOC(N(CC1)CCC1NC(c(cc1)cc(NC2=O)c1N/C2=C\C(c1ccc(C2CCCCC2)cc1)=O)=O)=O

InChI

InChI=1S/C31H36N4O5/c1-2-40-31(39)35-16-14-24(15-17-35)32-29(37)23-12-13-25-26(18-23)34-30(38)27(33-25)19-28(36)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h8-13,18-20,24,33H,2-7,14-17H2,1H3,(H,32,37)(H,34,38)

InChI Key

YMLOEDVBTFAMAT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14741929

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

544.65

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

5.239

Distribution Coefficient, logD

5.102

Water Solubility, LogSw

-4.97

Polar Surface Area

96.190

Acid Dissociation Constant (pK_a)

7.83

Base Dissociation Constant (pK_b)

3.85

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

41.90

C301-0734 in Drug Discovery

Included in Screening Libraries

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

DGK Inhibitors Library (10558 compounds)

Regenerative Medicine Focused Library (23016 compounds)

Anti-HIV1 Library (19540 compounds)

Aurora A-B Kinases Targeted Library (9426 compounds)

Protein Tyrosine Phosphatase Non-receptor Type (PTPN) Targeted Library (32556 compounds)

Included in 1.7M Stock Database

Therapeutical areas:

Cancer
Digestive system
Hemic and lymphatic
Skin
Metabolic
Immune system
Musculoskeletal
Digestive system
Hemic and lymphatic
Cardiovascular
Skin
wounds
Antiviral
Infections
Immune system
Cancer
Digestive system
Male
Female
Hemic and lymphatic
Cancer
Nervous system
Male
Female
Hemic and lymphatic
Skin
Endocrine

Targets:

Kinases
Kinases
Phosphatases

References: we are preparing a list of scientific research reports with C301-0734 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C301-0734?
Check Price and Availability of C301-0734, 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 C301-0734 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for C301-0734
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for C301-0734

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 C301-0734 available by request