8009-7616 Screening compound: 1,3-bis[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione

8009-7616 Screening compound: 1,3-bis[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione
8009-7616 Screening compound: 1,3-bis[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8009-7616
1,3-bis[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione

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

8009-7616

Molecular Formula

C31H36N4S (C31 H36 N4 S)

Compound Name

1,3-bis[(4-phenylpiperidin-1-yl)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione

IUPAC name

13-bis[(4-phenylpiperidin-1-yl)methyl]-23-dihydro-1H-13-benzodiazole-2-thione

SMILES

S=C1N(CN(CC2)CCC2c2ccccc2)c(cccc2)c2N1CN(CC1)CCC1c1ccccc1

InChI

InChI=1S/C31H36N4S/c36-31-34(23-32-19-15-27(16-20-32)25-9-3-1-4-10-25)29-13-7-8-14-30(29)35(31)24-33-21-17-28(18-22-33)26-11-5-2-6-12-26/h1-14,27-28H,15-24H2

InChI Key

JXFCIZJZNXHDLW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01429258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

496.72

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

7.216

Distribution Coefficient, logD

4.217

Water Solubility, LogSw

-6.21

Polar Surface Area

14.850

Acid Dissociation Constant (pKa)

25.10

Base Dissociation Constant (pKb)

10.40

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

38.70

8009-7616 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 8009-7616 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8009-7616?
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What is the minimum amount of 8009-7616 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8009-7616
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8009-7616
  • 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 8009-7616 available by request