5695-0547 Screening compound: 2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid

5695-0547 Screening compound: 2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid
5695-0547 Screening compound: 2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0547
2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid

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

5695-0547

Molecular Formula

C21H21NO4 (C21 H21 NO4)

Compound Name

2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid

IUPAC name

2-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}butanoic acid

SMILES

CCC(C(O)=O)/N=C1/c(cc(C)cc2)c2OC(c(cc2)ccc2OC)=C1

InChI

InChI=1S/C21H21NO4/c1-4-17(21(23)24)22-18-12-20(14-6-8-15(25-3)9-7-14)26-19-10-5-13(2)11-16(18)19/h5-12,17H,4H2,1-3H3,(H,23,24)/b22-18+/t17-/m0/s1

InChI Key

ONIINDPDHIFBGG-VPMFXMNOSA-N

MDL Number (MFCD)

MFCD03986445

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

351.4

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.637

Distribution Coefficient, logD

4.637

Water Solubility, LogSw

-4.35

Polar Surface Area

53.184

Acid Dissociation Constant (pKa)

4.59

Base Dissociation Constant (pKb)

9.82

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

23.80

5695-0547 in Drug Discovery

Included in Screening Libraries

Antiviral Annotated Library (21441 compounds)

RAR (Nuclear receptors) Ligands Library (6524 compounds)

STING Agonist Library (5895 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Respiratory tract
  • Eye
  • Male
  • Female
  • Hemic and lymphatic
  • Congenital
  • Skin
  • Endocrine
  • Immune system
  • Cancer
  • Immune system
Targets:
  • Nuclear receptors
  • Others
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with 5695-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0547?
Check Price and Availability of 5695-0547, 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 5695-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0547
  • 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 5695-0547 available by request