8006-2064 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-methylbenzoate

8006-2064 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-methylbenzoate
8006-2064 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-methylbenzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2064
4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-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

8006-2064

Molecular Formula

C30H22FNO3 (C30 H22 FNO3)

Compound Name

4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-methylbenzoate

IUPAC name

4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl 4-methylbenzoate

SMILES

Cc(cc1)ccc1C(Oc1ccc(/C=N/c(cc2)ccc2C(/C=C/c(cc2)ccc2F)=O)cc1)=O

InChI

InChI=1S/C30H22FNO3/c1-21-2-9-25(10-3-21)30(34)35-28-17-6-23(7-18-28)20-32-27-15-11-24(12-16-27)29(33)19-8-22-4-13-26(31)14-5-22/h2-20H,1H3

InChI Key

XGCLNDFQBGXXMR-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823988

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

463.51

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.286

Distribution Coefficient, logD

6.286

Water Solubility, LogSw

-5.72

Polar Surface Area

41.719

Acid Dissociation Constant (pKa)

28.80

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

3.30

8006-2064 in Drug Discovery

Included in Screening Libraries

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

CORONAVIRUS Library (20774 compounds)

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with 8006-2064 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2064?
Check Price and Availability of 8006-2064, 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 8006-2064 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2064
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2064
  • 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 8006-2064 available by request