6041-0002 Screening compound: (7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole

6041-0002 Screening compound: (7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole
6041-0002 Screening compound: (7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 6041-0002
(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole

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

6041-0002

Molecular Formula

C28H28N2O2 (C28 H28 N2 O2)

Compound Name

(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-3,3a,4,5,6,7-hexahydro-2H-indazole

IUPAC name

(7E)-3-(4-methoxyphenyl)-7-[(4-methoxyphenyl)methylidene]-2-phenyl-33a4567-hexahydro-2H-indazole

SMILES

COc1ccc(C(C2CCC3)N(c4ccccc4)N=C2/C3=C/c(cc2)ccc2OC)cc1

InChI

InChI=1S/C28H28N2O2/c1-31-24-15-11-20(12-16-24)19-22-7-6-10-26-27(22)29-30(23-8-4-3-5-9-23)28(26)21-13-17-25(32-2)18-14-21/h3-5,8-9,11-19,26,28H,6-7,10H2,1-2H3

InChI Key

KMAMZQZZIXEMST-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00564684

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

424.54

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

6.964

Distribution Coefficient, logD

6.964

Water Solubility, LogSw

-5.90

Polar Surface Area

27.441

Acid Dissociation Constant (pKa)

18.28

Base Dissociation Constant (pKb)

2.20

Number of Chiral Centers

2.00

Percent sp3 carbon bonding

25.00

6041-0002 in Drug Discovery

Included in Screening Libraries

Eccentric PPI Library (11937 compounds)

Protein-Protein Interaction Library (218420 compounds)

Included in 1.7M Stock Database

Mechanism of action:
  • PPI modulators
  • PPI modulators
Structure:
  • Cyclic compounds

References: we are preparing a list of scientific research reports with 6041-0002 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6041-0002?
Check Price and Availability of 6041-0002, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of 6041-0002 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6041-0002
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6041-0002
  • 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 6041-0002 available by request