C276-0550 Screening compound: 9-(4-ethoxyphenyl)-6,7,8-trimethoxy-3,3-dimethyl-1,2,3,4,9,10-hexahydroacridin-1-one

C276-0550 Screening compound: 9-(4-ethoxyphenyl)-6,7,8-trimethoxy-3,3-dimethyl-1,2,3,4,9,10-hexahydroacridin-1-one
C276-0550 Screening compound: 9-(4-ethoxyphenyl)-6,7,8-trimethoxy-3,3-dimethyl-1,2,3,4,9,10-hexahydroacridin-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound C276-0550
9-(4-ethoxyphenyl)-6,7,8-trimethoxy-3,3-dimethyl-1,2,3,4,9,10-hexahydroacridin-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

C276-0550

Molecular Formula

C26H31NO5 (C26 H31 NO5)

Compound Name

9-(4-ethoxyphenyl)-6,7,8-trimethoxy-3,3-dimethyl-1,2,3,4,9,10-hexahydroacridin-1-one

IUPAC name

9-(4-ethoxyphenyl)-678-trimethoxy-33-dimethyl-1234910-hexahydroacridin-1-one

SMILES

CCOc1ccc(C2C(C(CC(C)(C)C3)=O)=C3Nc(cc3OC)c2c(OC)c3OC)cc1

InChI

InChI=1S/C26H31NO5/c1-7-32-16-10-8-15(9-11-16)21-22-18(13-26(2,3)14-19(22)28)27-17-12-20(29-4)24(30-5)25(31-6)23(17)21/h8-12,21,27H,7,13-14H2,1-6H3/t21-/m1/s1

InChI Key

HDUMIDJOVSEWSL-OAQYLSRUSA-N

MDL Number (MFCD)

MFCD06754265

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

437.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

4.938

Distribution Coefficient, logD

4.444

Water Solubility, LogSw

-4.70

Polar Surface Area

54.458

Acid Dissociation Constant (pKa)

7.07

Base Dissociation Constant (pKb)

-1.07

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.30

C276-0550 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 C276-0550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C276-0550?
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What is the minimum amount of C276-0550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C276-0550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C276-0550
  • 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 C276-0550 available by request