8006-2053 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate

8006-2053 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate
8006-2053 Screening compound: 4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-2053
4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate

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

8006-2053

Molecular Formula

C33H22FNO3 (C33 H22 FNO3)

Compound Name

4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate

IUPAC name

4-[(E)-({4-[(2E)-3-(4-fluorophenyl)prop-2-enoyl]phenyl}imino)methyl]phenyl naphthalene-1-carboxylate

SMILES

O=C(/C=C/c(cc1)ccc1F)c(cc1)ccc1/N=C/c(cc1)ccc1OC(c1cccc2ccccc12)=O

InChI

InChI=1S/C33H22FNO3/c34-27-15-8-23(9-16-27)12-21-32(36)26-13-17-28(18-14-26)35-22-24-10-19-29(20-11-24)38-33(37)31-7-3-5-25-4-1-2-6-30(25)31/h1-22H

InChI Key

HRAGALYOKPWTLM-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00823984

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.54

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

6.981

Distribution Coefficient, logD

6.981

Water Solubility, LogSw

-7.16

Polar Surface Area

41.448

Acid Dissociation Constant (pKa)

14.00

Base Dissociation Constant (pKb)

2.84

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

0.00

8006-2053 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8006-2053 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-2053?
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What is the minimum amount of 8006-2053 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-2053
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-2053
  • 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 8006-2053 available by request