5701-0577 Screening compound: (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one

5701-0577 Screening compound: (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one
5701-0577 Screening compound: (1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0577
(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one

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)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

5701-0577

Molecular Formula

C22H25NO4 (C22 H25 NO4)

Compound Name

(1E,4E)-1-[4-(dimethylamino)phenyl]-5-(3,4,5-trimethoxyphenyl)penta-1,4-dien-3-one

IUPAC name

(1E4E)-1-[4-(dimethylamino)phenyl]-5-(345-trimethoxyphenyl)penta-14-dien-3-one

SMILES

CN(C)c1ccc(/C=C/C(/C=C/c(cc2OC)cc(OC)c2OC)=O)cc1

InChI

InChI=1S/C22H25NO4/c1-23(2)18-10-6-16(7-11-18)8-12-19(24)13-9-17-14-20(25-3)22(27-5)21(15-17)26-4/h6-15H,1-5H3

InChI Key

SNHJNGSEGCCYBY-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03677902

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

367.44

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.778

Distribution Coefficient, logD

3.778

Water Solubility, LogSw

-4.06

Polar Surface Area

38.505

Acid Dissociation Constant (pKa)

30.86

Base Dissociation Constant (pKb)

3.55

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.70

5701-0577 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antimitotic Tubulin Library (17355 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5701-0577 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0577?
Check Price and Availability of 5701-0577, 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 5701-0577 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0577
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0577
  • 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 5701-0577 available by request