8012-5725 Screening compound: methyl 4-(1,3-dibenzylimidazolidin-2-yl)benzoate

8012-5725 Screening compound: methyl 4-(1,3-dibenzylimidazolidin-2-yl)benzoate
8012-5725 Screening compound: methyl 4-(1,3-dibenzylimidazolidin-2-yl)benzoate alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5725
methyl 4-(1,3-dibenzylimidazolidin-2-yl)benzoate

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

8012-5725

Molecular Formula

C25H26N2O2 (C25 H26 N2 O2)

Compound Name

methyl 4-(1,3-dibenzylimidazolidin-2-yl)benzoate

IUPAC name

methyl 4-(13-dibenzylimidazolidin-2-yl)benzoate

SMILES

COC(c1ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1)=O

InChI

InChI=1S/C25H26N2O2/c1-29-25(28)23-14-12-22(13-15-23)24-26(18-20-8-4-2-5-9-20)16-17-27(24)19-21-10-6-3-7-11-21/h2-15,24H,16-19H2,1H3

InChI Key

AIVSAUVVDKNXIF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03036638

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

386.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.860

Distribution Coefficient, logD

3.933

Water Solubility, LogSw

-4.69

Polar Surface Area

28.252

Acid Dissociation Constant (pKa)

25.52

Base Dissociation Constant (pKb)

8.27

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

24.00

8012-5725 in Drug Discovery

Included in Screening Libraries

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

CNS BBB Library (22607 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Nervous system

References: we are preparing a list of scientific research reports with 8012-5725 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5725?
Check Price and Availability of 8012-5725, 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 8012-5725 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5725
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5725
  • 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 8012-5725 available by request