3647-4434 Screening compound: 9-(1,3-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

3647-4434 Screening compound: 9-(1,3-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione
3647-4434 Screening compound: 9-(1,3-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-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 3647-4434
9-(1,3-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-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

3647-4434

Molecular Formula

C29H35N3O3 (C29 H35 N3 O3)

Compound Name

9-(1,3-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-3,3,6,6-tetramethyl-1,2,3,4,5,6,7,8,9,10-decahydroacridine-1,8-dione

IUPAC name

9-(13-dimethyl-1H-pyrazol-4-yl)-10-(4-methoxyphenyl)-3366-tetramethyl-12345678910-decahydroacridine-18-dione

SMILES

CC(C)(C1)CC(N(C(CC(C)(C)C2)=C(C3c4cn(C)nc4C)C2=O)c(cc2)ccc2OC)=C3C1=O

InChI

InChI=1S/C29H35N3O3/c1-17-20(16-31(6)30-17)25-26-21(12-28(2,3)14-23(26)33)32(18-8-10-19(35-7)11-9-18)22-13-29(4,5)15-24(34)27(22)25/h8-11,16,25H,12-15H2,1-7H3

InChI Key

OWMHDKIOISYPCS-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03232488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

473.62

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

3.708

Distribution Coefficient, logD

3.708

Water Solubility, LogSw

-4.00

Polar Surface Area

50.809

Acid Dissociation Constant (pKa)

25.12

Base Dissociation Constant (pKb)

0.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

48.30

3647-4434 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with 3647-4434 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 3647-4434?
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What is the minimum amount of 3647-4434 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 3647-4434
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 3647-4434
  • 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 3647-4434 available by request