4079-0014 Screening compound: 1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

4079-0014 Screening compound: 1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine
4079-0014 Screening compound: 1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine alternative view

Chemical Structure Depiction of ChemDiv screening compound 4079-0014
1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-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

4079-0014

Molecular Formula

C30H26N2O (C30 H26 N2 O)

Compound Name

1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-2,3-dihydro-1H-1,5-benzodiazepine

IUPAC name

1-(4-methylbenzoyl)-4-(4-methylphenyl)-2-phenyl-23-dihydro-1H-15-benzodiazepine

SMILES

Cc(cc1)ccc1C(N(C(C1)c2ccccc2)c(cccc2)c2N=C1c1ccc(C)cc1)=O

InChI

InChI=1S/C30H26N2O/c1-21-12-16-23(17-13-21)27-20-29(24-8-4-3-5-9-24)32(28-11-7-6-10-26(28)31-27)30(33)25-18-14-22(2)15-19-25/h3-19,29H,20H2,1-2H3/t29-/m0/s1

InChI Key

AFIAVUVVKGGQAO-LJAQVGFWSA-N

MDL Number (MFCD)

MFCD03475734

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

430.55

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.700

Distribution Coefficient, logD

6.700

Water Solubility, LogSw

-5.79

Polar Surface Area

23.599

Acid Dissociation Constant (pKa)

22.98

Base Dissociation Constant (pKb)

1.76

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

References: we are preparing a list of scientific research reports with 4079-0014 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 4079-0014?
Check Price and Availability of 4079-0014, 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 4079-0014 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 4079-0014
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 4079-0014
  • 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 4079-0014 available by request