8007-5163 Screening compound: 4-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl 3-(4-bromophenyl)-3-oxopropanoate

8007-5163 Screening compound: 4-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl 3-(4-bromophenyl)-3-oxopropanoate
8007-5163 Screening compound: 4-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl 3-(4-bromophenyl)-3-oxopropanoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-5163
4-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl 3-(4-bromophenyl)-3-oxopropanoate

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

8007-5163

Molecular Formula

C23H18BrNO5 (C23 H18 BrNO5)

Compound Name

4-{[(E)-1-(2-hydroxy-5-methoxyphenyl)methylidene]amino}phenyl 3-(4-bromophenyl)-3-oxopropanoate

IUPAC name

4-[(E)-[(2-hydroxy-5-methoxyphenyl)methylidene]amino]phenyl 3-(4-bromophenyl)-3-oxopropanoate

SMILES

COc(cc1)cc(/C=N/c(cc2)ccc2OC(CC(c(cc2)ccc2Br)=O)=O)c1O

InChI

InChI=1S/C23H18BrNO5/c1-29-20-10-11-21(26)16(12-20)14-25-18-6-8-19(9-7-18)30-23(28)13-22(27)15-2-4-17(24)5-3-15/h2-12,14,26H,13H2,1H3

InChI Key

FYLPHZMETMWGMZ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01113215

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

468.3

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.654

Distribution Coefficient, logD

4.639

Water Solubility, LogSw

-4.38

Polar Surface Area

65.488

Acid Dissociation Constant (pKa)

8.87

Base Dissociation Constant (pKb)

4.51

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

8.70

8007-5163 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 8007-5163 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-5163?
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What is the minimum amount of 8007-5163 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-5163
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-5163
  • 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 8007-5163 available by request