5695-0556 Screening compound: ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate

5695-0556 Screening compound: ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate
5695-0556 Screening compound: ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5695-0556
ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate

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

5695-0556

Molecular Formula

C26H23NO4 (C26 H23 NO4)

Compound Name

ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate

IUPAC name

ethyl 3-{[(4E)-2-(4-methoxyphenyl)-6-methyl-4H-chromen-4-ylidene]amino}benzoate

SMILES

CCOC(c1cc(/N=C2/c(cc(C)cc3)c3OC(c(cc3)ccc3OC)=C2)ccc1)=O

InChI

InChI=1S/C26H23NO4/c1-4-30-26(28)19-6-5-7-20(15-19)27-23-16-25(18-9-11-21(29-3)12-10-18)31-24-13-8-17(2)14-22(23)24/h5-16H,4H2,1-3H3

InChI Key

HCRUZHBFDOZYAE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03618634

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.767

Distribution Coefficient, logD

5.644

Water Solubility, LogSw

-5.68

Polar Surface Area

44.305

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

8.49

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

15.40

5695-0556 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5695-0556 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5695-0556?
Check Price and Availability of 5695-0556, 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 5695-0556 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5695-0556
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5695-0556
  • 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 5695-0556 available by request