5639-0073 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-methylbenzoate

5639-0073 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-methylbenzoate
5639-0073 Screening compound: [(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 5639-0073
[(4E)-7-methoxy-3,4-dihydro-2H-1-benzopyran-4-ylidene]amino 3-methylbenzoate

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

5639-0073

Molecular Formula

C18H17NO4 (C18 H17 NO4)

Compound Name

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

IUPAC name

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

SMILES

Cc1cccc(C(O/N=C2/c(ccc(OC)c3)c3OCC2)=O)c1

InChI

InChI=1S/C18H17NO4/c1-12-4-3-5-13(10-12)18(20)23-19-16-8-9-22-17-11-14(21-2)6-7-15(16)17/h3-7,10-11H,8-9H2,1-2H3

InChI Key

MWQXMJXRHRCXKZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01141479

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

311.34

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

3.493

Distribution Coefficient, logD

3.493

Water Solubility, LogSw

-3.66

Polar Surface Area

46.977

Acid Dissociation Constant (pKa)

24.40

Base Dissociation Constant (pKb)

0.53

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.20

5639-0073 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 5639-0073 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 5639-0073?
Check Price and Availability of 5639-0073, 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 5639-0073 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 5639-0073
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 5639-0073
  • 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 5639-0073 available by request