8010-3044 Screening compound: 5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione

8010-3044 Screening compound: 5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione
8010-3044 Screening compound: 5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8010-3044
5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-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

8010-3044

Molecular Formula

C16H16N2S (C16 H16 N2 S)

Compound Name

5-benzyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepine-2-thione

IUPAC name

5-benzyl-2345-tetrahydro-1H-15-benzodiazepine-2-thione

SMILES

S=C1Nc(cccc2)c2N(Cc2ccccc2)CC1

InChI

InChI=1S/C16H16N2S/c19-16-10-11-18(12-13-6-2-1-3-7-13)15-9-5-4-8-14(15)17-16/h1-9H,10-12H2,(H,17,19)

InChI Key

NKSXKIMLPQFLEX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD01334039

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

268.38

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.522

Distribution Coefficient, logD

3.445

Water Solubility, LogSw

-3.62

Polar Surface Area

14.849

Acid Dissociation Constant (pKa)

8.11

Base Dissociation Constant (pKb)

8.46

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

8010-3044 in Drug Discovery

Included in Screening Libraries

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

Akt-Targeted Library (14764 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8010-3044 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8010-3044?
Check Price and Availability of 8010-3044, 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 8010-3044 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8010-3044
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8010-3044
  • 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 8010-3044 available by request