8010-8365 Screening compound: 1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one

8010-8365 Screening compound: 1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one
8010-8365 Screening compound: 1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-8365
1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one

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

8010-8365

Molecular Formula

C25H28BrNO5 (C25 H28 BrNO5)

Compound Name

1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(3,4-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one

IUPAC name

1-{5-acetyl-2-[(4-bromophenyl)amino]-6-(34-dimethoxyphenyl)-4-hydroxy-4-methylcyclohex-1-en-1-yl}ethan-1-one

SMILES

CC(CC(Nc(cc1)ccc1Br)=C(C1c(cc2)cc(OC)c2OC)C(C)=O)(C1C(C)=O)O

InChI

InChI=1S/C25H28BrNO5/c1-14(28)22-19(27-18-9-7-17(26)8-10-18)13-25(3,30)24(15(2)29)23(22)16-6-11-20(31-4)21(12-16)32-5/h6-12,23-24,27,30H,13H2,1-5H3

InChI Key

SAZZPPPVSSVQOI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02324748

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

502.41

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.101

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.34

Polar Surface Area

67.120

Acid Dissociation Constant (pKa)

7.87

Base Dissociation Constant (pKb)

1.53

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

36.00

References: we are preparing a list of scientific research reports with 8010-8365 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-8365?
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What is the minimum amount of 8010-8365 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-8365
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-8365
  • 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 8010-8365 available by request