8012-0949 Screening compound: 1,3-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine

8012-0949 Screening compound: 1,3-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine
8012-0949 Screening compound: 1,3-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-0949
1,3-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine

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

8012-0949

Molecular Formula

C23H26Cl2N2 (C23 H26 Cl2 N2)

Compound Name

1,3-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine

IUPAC name

13-bis[(4-chlorophenyl)methyl]-2-(cyclohex-3-en-1-yl)imidazolidine

SMILES

Clc1ccc(CN2C(C3CC=CCC3)N(Cc(cc3)ccc3Cl)CC2)cc1

InChI

InChI=1S/C23H26Cl2N2/c24-21-10-6-18(7-11-21)16-26-14-15-27(17-19-8-12-22(25)13-9-19)23(26)20-4-2-1-3-5-20/h1-2,6-13,20,23H,3-5,14-17H2/t20-/m1/s1

InChI Key

IWAXPVCBPVNXPQ-HXUWFJFHSA-N

MDL Number (MFCD)

MFCD02933879

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

6.460

Distribution Coefficient, logD

4.436

Water Solubility, LogSw

-6.81

Polar Surface Area

7.271

Acid Dissociation Constant (pKa)

24.33

Base Dissociation Constant (pKb)

9.42

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

39.10

8012-0949 in Drug Discovery

Included in Screening Libraries

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

Protein Arginine Methyltransferases Library (27925 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Musculoskeletal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Metabolic
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Others
  • Kinases
Mechanism of action:
  • Epigenetic
Agro:
  • Agro

References: we are preparing a list of scientific research reports with 8012-0949 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-0949?
Check Price and Availability of 8012-0949, 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 8012-0949 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-0949
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-0949
  • 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 8012-0949 available by request