8005-2300 Screening compound: 1,3-bis[(phenylamino)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione

8005-2300 Screening compound: 1,3-bis[(phenylamino)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione
8005-2300 Screening compound: 1,3-bis[(phenylamino)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8005-2300
1,3-bis[(phenylamino)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

8005-2300

Molecular Formula

C21H20N4S (C21 H20 N4 S)

Compound Name

1,3-bis[(phenylamino)methyl]-2,3-dihydro-1H-1,3-benzodiazole-2-thione

IUPAC name

13-bis[(phenylamino)methyl]-23-dihydro-1H-13-benzodiazole-2-thione

SMILES

S=C1N(CNc2ccccc2)c(cccc2)c2N1CNc1ccccc1

InChI

InChI=1S/C21H20N4S/c26-21-24(15-22-17-9-3-1-4-10-17)19-13-7-8-14-20(19)25(21)16-23-18-11-5-2-6-12-18/h1-14,22-23H,15-16H2

InChI Key

MYHYVKHEYKPFMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD00086520

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

360.48

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

4.609

Distribution Coefficient, logD

4.609

Water Solubility, LogSw

-4.45

Polar Surface Area

26.861

Acid Dissociation Constant (pKa)

18.95

Base Dissociation Constant (pKb)

8.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

9.50

8005-2300 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 8005-2300 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8005-2300?
Check Price and Availability of 8005-2300, 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 8005-2300 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8005-2300
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8005-2300
  • 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 8005-2300 available by request