8010-7924 Screening compound: 1-[3-acetyl-2-[4-(dimethylamino)phenyl]-6-hydroxy-4-(4-methoxyanilino)-6-methyl-3-cyclohexenyl]-1-ethanone

8010-7924 Screening compound: 1-[3-acetyl-2-[4-(dimethylamino)phenyl]-6-hydroxy-4-(4-methoxyanilino)-6-methyl-3-cyclohexenyl]-1-ethanone
8010-7924 Screening compound: 1-[3-acetyl-2-[4-(dimethylamino)phenyl]-6-hydroxy-4-(4-methoxyanilino)-6-methyl-3-cyclohexenyl]-1-ethanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-7924
1-[3-acetyl-2-[4-(dimethylamino)phenyl]-6-hydroxy-4-(4-methoxyanilino)-6-methyl-3-cyclohexenyl]-1-ethanone

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

8010-7924

Molecular Formula

C26H32N2O4 (C26 H32 N2 O4)

Compound Name

1-[3-acetyl-2-[4-(dimethylamino)phenyl]-6-hydroxy-4-(4-methoxyanilino)-6-methyl-3-cyclohexenyl]-1-ethanone

IUPAC name

1-{5-acetyl-6-[4-(dimethylamino)phenyl]-4-hydroxy-2-[(4-methoxyphenyl)amino]-4-methylcyclohex-1-en-1-yl}ethan-1-one

SMILES

CC(CC(Nc(cc1)ccc1OC)=C(C1c(cc2)ccc2N(C)C)C(C)=O)(C1C(C)=O)O

InChI

InChI=1S/C26H32N2O4/c1-16(29)23-22(27-19-9-13-21(32-6)14-10-19)15-26(3,31)25(17(2)30)24(23)18-7-11-20(12-8-18)28(4)5/h7-14,24-25,27,31H,15H2,1-6H3

InChI Key

RFOIDJZODOFUNK-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02181658

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

436.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.672

Distribution Coefficient, logD

3.665

Water Solubility, LogSw

-3.99

Polar Surface Area

62.207

Acid Dissociation Constant (pKa)

9.35

Base Dissociation Constant (pKb)

5.06

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.46

8010-7924 in Drug Discovery

Included in Screening Libraries

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 8010-7924 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-7924?
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What is the minimum amount of 8010-7924 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-7924
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-7924
  • 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 8010-7924 available by request