8012-5551 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

8012-5551 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one
8012-5551 Screening compound: 5-{[1,1'-biphenyl]-4-yl}-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8012-5551
5-{[1,1'-biphenyl]-4-yl}-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

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

8012-5551

Molecular Formula

C29H24N2O (C29 H24 N2 O)

Compound Name

5-{[1,1'-biphenyl]-4-yl}-2-methyl-5,6,7,8,9,10-hexahydro-1,10-diazatetraphen-6-one

IUPAC name

5-{[11'-biphenyl]-4-yl}-2-methyl-5678910-hexahydro-110-diazatetraphen-6-one

SMILES

Cc1ccc(c(C2c(cc3)ccc3-c3ccccc3)c(cc3)NC(CCC4)=C2C4=O)c3n1

InChI

InChI=1S/C29H24N2O/c1-18-10-15-22-23(30-18)16-17-25-28(22)27(29-24(31-25)8-5-9-26(29)32)21-13-11-20(12-14-21)19-6-3-2-4-7-19/h2-4,6-7,10-17,27,31H,5,8-9H2,1H3/t27-/m0/s1

InChI Key

VJPBRCNVRZYWQJ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD03036488

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

416.52

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

3

Partition Coefficient, logP

6.670

Distribution Coefficient, logD

6.659

Water Solubility, LogSw

-5.98

Polar Surface Area

32.135

Acid Dissociation Constant (pKa)

8.97

Base Dissociation Constant (pKb)

3.63

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

17.20

References: we are preparing a list of scientific research reports with 8012-5551 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8012-5551?
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What is the minimum amount of 8012-5551 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8012-5551
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8012-5551
  • 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 8012-5551 available by request