2447-2964 Screening compound: (2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-[4-(octyloxy)phenyl]prop-2-enamide

Chemical Structure Depiction of ChemDiv screening compound 2447-2964
(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-[4-(octyloxy)phenyl]prop-2-enamide

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

2447-2964

Molecular Formula

C₃₅H₄₄N₂O₃ (C35 H44 N2 O3)

Compound Name

(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-[4-(octyloxy)phenyl]prop-2-enamide

IUPAC name

(2Z)-2-[(4-butylphenyl)formamido]-3-(4-methylphenyl)-N-[4-(octyloxy)phenyl]prop-2-enamide

SMILES

CCCCCCCCOc(cc1)ccc1NC(/C(/NC(c1ccc(CCCC)cc1)=O)=C/c1ccc(C)cc1)=O

InChI

InChI=1S/C35H44N2O3/c1-4-6-8-9-10-11-25-40-32-23-21-31(22-24-32)36-35(39)33(26-29-15-13-27(3)14-16-29)37-34(38)30-19-17-28(18-20-30)12-7-5-2/h13-24,26H,4-12,25H2,1-3H3,(H,36,39)(H,37,38)

InChI Key

WKBYBNQTVNZXGP-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01842516

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

540.75

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

18.00

Number of Nitrogen and Oxygen Atoms

Partition Coefficient, logP

10.138

Distribution Coefficient, logD

10.000

Water Solubility, LogSw

-5.77

Polar Surface Area

52.672

Acid Dissociation Constant (pK_a)

7.83

Base Dissociation Constant (pK_b)

3.48

Number of Chiral Centers

0.00

Percent sp³ carbon bonding

37.10

2447-2964 in Drug Discovery

Included in Screening Libraries

Glucocorticoid receptors Library (4806 compounds)

Lipid Metabolism Library (9174 compounds)

MCL1 Targeted Library (12200 compounds)

Regenerative Medicine Focused Library (23016 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Histone Deacetylases (HDAC) Targeted Library (9760 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:

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

Targets:

Nuclear receptors
Phosphatases

Mechanism of action:

Receptor's ligands
Epigenetic

References: we are preparing a list of scientific research reports with 2447-2964 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 2447-2964?
Check Price and Availability of 2447-2964, 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 2447-2964 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.

Delivery options for 2447-2964
ChemDiv sends parcels with Express services (UPS, WC).

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

Delivery formats for 2447-2964

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 2447-2964 available by request