5639-0074 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate

5639-0074 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate
5639-0074 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0074
[(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate

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

5639-0074

Molecular Formula

C17H14FNO4 (C17 H14 FNO4)

Compound Name

[(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate

IUPAC name

[(4E)-7-methoxy-34-dihydro-2H-1-benzopyran-4-ylidene]amino 3-fluorobenzoate

SMILES

COc(cc1)cc(OCC2)c1/C2=N/OC(c1cccc(F)c1)=O

InChI

InChI=1S/C17H14FNO4/c1-21-13-5-6-14-15(7-8-22-16(14)10-13)19-23-17(20)11-3-2-4-12(18)9-11/h2-6,9-10H,7-8H2,1H3

InChI Key

QWCXLQXELPZPPC-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03827791

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

315.3

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.244

Distribution Coefficient, logD

3.244

Water Solubility, LogSw

-3.49

Polar Surface Area

46.977

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

-0.41

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

17.60

5639-0074 in Drug Discovery

Included in Screening Libraries

NOTUM (Wnt signaling) Library (3881 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 5639-0074 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0074?
Check Price and Availability of 5639-0074, 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 5639-0074 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0074
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0074
  • 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 5639-0074 available by request