5701-0711 Screening compound: (2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

5701-0711 Screening compound: (2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one
5701-0711 Screening compound: (2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 5701-0711
(2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-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

5701-0711

Molecular Formula

C25H23NO6 (C25 H23 NO6)

Compound Name

(2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

IUPAC name

(2E)-3-{4-methoxy-3-[(3-methyl-4-nitrophenoxy)methyl]phenyl}-1-(4-methoxyphenyl)prop-2-en-1-one

SMILES

Cc(cc(cc1)OCc(cc(/C=C/C(c(cc2)ccc2OC)=O)cc2)c2OC)c1[N+]([O-])=O

InChI

InChI=1S/C25H23NO6/c1-17-14-22(10-11-23(17)26(28)29)32-16-20-15-18(5-13-25(20)31-3)4-12-24(27)19-6-8-21(30-2)9-7-19/h4-15H,16H2,1-3H3

InChI Key

XTLZACFZSDEUKR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03676805

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

433.46

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.623

Distribution Coefficient, logD

5.623

Water Solubility, LogSw

-5.47

Polar Surface Area

68.696

Acid Dissociation Constant (pKa)

28.07

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

16.00

5701-0711 in Drug Discovery

Included in Screening Libraries

CORONAVIRUS Library (20774 compounds)

KRAS-Targeted Library (16000 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 5701-0711 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5701-0711?
Check Price and Availability of 5701-0711, 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 5701-0711 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5701-0711
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5701-0711
  • 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 5701-0711 available by request