8013-5056 Screening compound: 6-{(4-bromophenyl)[(E)-2-phenylhydrazono]methyl}-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione

8013-5056 Screening compound: 6-{(4-bromophenyl)[(E)-2-phenylhydrazono]methyl}-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione
8013-5056 Screening compound: 6-{(4-bromophenyl)[(E)-2-phenylhydrazono]methyl}-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-5056
6-{(4-bromophenyl)[(E)-2-phenylhydrazono]methyl}-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione

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

8013-5056

Molecular Formula

C22H23BrN2O3 (C22 H23 BrN2 O3)

Compound Name

6-{(4-bromophenyl)[(E)-2-phenylhydrazono]methyl}-3,3,5,5-tetramethyldihydro-2H-pyran-2,4(3H)-dione

IUPAC name

6-[(E)-(4-bromophenyl)(2-phenylhydrazin-1-ylidene)methyl]-3355-tetramethyloxane-24-dione

SMILES

CC(C)(C(/C(/c(cc1)ccc1Br)=N/Nc1ccccc1)OC(C1(C)C)=O)C1=O

InChI

InChI=1S/C22H23BrN2O3/c1-21(2)18(28-20(27)22(3,4)19(21)26)17(14-10-12-15(23)13-11-14)25-24-16-8-6-5-7-9-16/h5-13,18,24H,1-4H3/t18-/m1/s1

InChI Key

XEEFBLGKLADXEK-GOSISDBHSA-N

MDL Number (MFCD)

MFCD03764465

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.34

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

6.141

Distribution Coefficient, logD

6.141

Water Solubility, LogSw

-5.73

Polar Surface Area

55.480

Acid Dissociation Constant (pKa)

16.65

Base Dissociation Constant (pKb)

4.06

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

31.82

References: we are preparing a list of scientific research reports with 8013-5056 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-5056?
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What is the minimum amount of 8013-5056 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-5056
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-5056
  • 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 8013-5056 available by request