8017-6551 Screening compound: methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridine-8-carboxylate

8017-6551 Screening compound: methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridine-8-carboxylate
8017-6551 Screening compound: methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridine-8-carboxylate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-6551
methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridine-8-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

8017-6551

Molecular Formula

C30H29NO6 (C30 H29 NO6)

Compound Name

methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-9,9-dimethyl-11-oxo-7,8,9,10,11,12-hexahydrobenzo[a]acridine-8-carboxylate

IUPAC name

methyl 12-[4-(acetyloxy)-3-methoxyphenyl]-33-dimethyl-1-oxo-1234512-hexahydro-5-azatetraphene-4-carboxylate

SMILES

CC(C)(C1)C(C(OC)=O)C(Nc2c(C3c(cc4)cc(OC)c4OC(C)=O)c4ccccc4cc2)=C3C1=O

InChI

InChI=1S/C30H29NO6/c1-16(32)37-22-13-11-18(14-23(22)35-4)24-25-19-9-7-6-8-17(19)10-12-20(25)31-28-26(24)21(33)15-30(2,3)27(28)29(34)36-5/h6-14,24,27,31H,15H2,1-5H3

InChI Key

BMDZSXLQSKWJJJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD06617195

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

499.56

Hydrogen Bond Acceptors Count

9.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

5.096

Distribution Coefficient, logD

5.079

Water Solubility, LogSw

-6.04

Polar Surface Area

73.798

Acid Dissociation Constant (pKa)

8.79

Base Dissociation Constant (pKb)

-3.36

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

30.00

References: we are preparing a list of scientific research reports with 8017-6551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-6551?
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Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-6551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-6551
  • 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 8017-6551 available by request