6456-0057 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl 3,5-dimethylpiperidine-1-carbodithioate

6456-0057 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl 3,5-dimethylpiperidine-1-carbodithioate
6456-0057 Screening compound: [(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl 3,5-dimethylpiperidine-1-carbodithioate alternative view

Chemical Structure Depiction of ChemDiv screening compound 6456-0057
[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl 3,5-dimethylpiperidine-1-carbodithioate

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

6456-0057

Molecular Formula

C26H30N4OS2 (C26 H30 N4 OS2)

Compound Name

[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)carbamoyl]methyl 3,5-dimethylpiperidine-1-carbodithioate

IUPAC name

[(4-methyl-3-phenyl-3H-15-benzodiazepin-2-yl)carbamoyl]methyl 35-dimethylpiperidine-1-carbodithioate

SMILES

CC(CC(C)C1)CN1C(SCC(NC1=Nc(cccc2)c2N=C(C)C1c1ccccc1)=O)=S

InChI

InChI=1S/C26H30N4OS2/c1-17-13-18(2)15-30(14-17)26(32)33-16-23(31)29-25-24(20-9-5-4-6-10-20)19(3)27-21-11-7-8-12-22(21)28-25/h4-12,17-18,24H,13-16H2,1-3H3,(H,28,29,31)

InChI Key

KOIUJMIYGWCUPH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03903845

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

478.68

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.109

Distribution Coefficient, logD

5.109

Water Solubility, LogSw

-4.93

Polar Surface Area

43.017

Acid Dissociation Constant (pKa)

11.40

Base Dissociation Constant (pKb)

4.10

Number of Chiral Centers

3.00

Percent sp3 carbon bonding

38.50

References: we are preparing a list of scientific research reports with 6456-0057 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 6456-0057?
Check Price and Availability of 6456-0057, 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 6456-0057 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 6456-0057
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 6456-0057
  • 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 6456-0057 available by request