8006-6281 Screening compound: 2,4-bis(4-iodophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine

8006-6281 Screening compound: 2,4-bis(4-iodophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine
8006-6281 Screening compound: 2,4-bis(4-iodophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 8006-6281
2,4-bis(4-iodophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine

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

8006-6281

Molecular Formula

C22H18I2N2 (C22 H18 I2 N2)

Compound Name

2,4-bis(4-iodophenyl)-2-methyl-2,3-dihydro-1H-1,5-benzodiazepine

IUPAC name

24-bis(4-iodophenyl)-2-methyl-23-dihydro-1H-15-benzodiazepine

SMILES

CC(C1)(c(cc2)ccc2I)Nc(cccc2)c2N=C1c(cc1)ccc1I

InChI

InChI=1S/C22H18I2N2/c1-22(16-8-12-18(24)13-9-16)14-21(15-6-10-17(23)11-7-15)25-19-4-2-3-5-20(19)26-22/h2-13,26H,14H2,1H3/t22-/m0/s1

InChI Key

HWDDNDDCQSPPDR-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD00294258

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

564.21

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

7.919

Distribution Coefficient, logD

7.919

Water Solubility, LogSw

-6.02

Polar Surface Area

20.638

Acid Dissociation Constant (pKa)

18.71

Base Dissociation Constant (pKb)

1.34

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.64

8006-6281 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 8006-6281 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8006-6281?
Check Price and Availability of 8006-6281, 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 8006-6281 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8006-6281
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8006-6281
  • 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 8006-6281 available by request