C047-1273 Screening compound: 9-(5-bromo-2-methoxyphenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

C047-1273 Screening compound: 9-(5-bromo-2-methoxyphenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
C047-1273 Screening compound: 9-(5-bromo-2-methoxyphenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione alternative view

Chemical Structure Depiction of ChemDiv screening compound C047-1273
9-(5-bromo-2-methoxyphenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-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

C047-1273

Molecular Formula

C32H36BrNO3 (C32 H36 BrNO3)

Compound Name

9-(5-bromo-2-methoxyphenyl)-10-(3,4-dimethylphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-(5-bromo-2-methoxyphenyl)-10-(34-dimethylphenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c(cc(cc4)Br)c4OC)C2=O)c2cc(C)c(C)cc2)=C3C1=O

InChI

InChI=1S/C32H36BrNO3/c1-18-8-10-21(12-19(18)2)34-23-14-31(3,4)16-25(35)29(23)28(22-13-20(33)9-11-27(22)37-7)30-24(34)15-32(5,6)17-26(30)36/h8-13,28H,14-17H2,1-7H3

InChI Key

FHTKTRDXEQXMBW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14714036

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

562.55

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.425

Distribution Coefficient, logD

7.425

Water Solubility, LogSw

-5.64

Polar Surface Area

35.733

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

-1.90

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

43.80

C047-1273 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 C047-1273 chemical compound. It will be published here after verification.

Frequently Asked Questions

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What is the minimum amount of C047-1273 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C047-1273
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C047-1273
  • 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 C047-1273 available by request