8006-5318 Screening compound: 3-(1,3-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole

8006-5318 Screening compound: 3-(1,3-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole
8006-5318 Screening compound: 3-(1,3-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-5318
3-(1,3-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole

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

8006-5318

Molecular Formula

C31H31N3 (C31 H31 N3)

Compound Name

3-(1,3-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole

IUPAC name

3-(13-dibenzylimidazolidin-2-yl)-9-ethyl-9H-carbazole

SMILES

CCn1c(ccc(C2N(Cc3ccccc3)CCN2Cc2ccccc2)c2)c2c2c1cccc2

InChI

InChI=1S/C31H31N3/c1-2-34-29-16-10-9-15-27(29)28-21-26(17-18-30(28)34)31-32(22-24-11-5-3-6-12-24)19-20-33(31)23-25-13-7-4-8-14-25/h3-18,21,31H,2,19-20,22-23H2,1H3

InChI Key

GZOMGVPCDWDCNJ-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00556828

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

445.61

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

7.022

Distribution Coefficient, logD

6.120

Water Solubility, LogSw

-6.21

Polar Surface Area

7.778

Acid Dissociation Constant (pKa)

24.81

Base Dissociation Constant (pKb)

8.24

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

22.58

8006-5318 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 8006-5318 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-5318?
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What is the minimum amount of 8006-5318 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-5318
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-5318
  • 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 8006-5318 available by request