8007-0697 Screening compound: 6-biphenyl-4-yl-10,11-dimethoxy-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-one

8007-0697 Screening compound: 6-biphenyl-4-yl-10,11-dimethoxy-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-one
8007-0697 Screening compound: 6-biphenyl-4-yl-10,11-dimethoxy-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 8007-0697
6-biphenyl-4-yl-10,11-dimethoxy-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-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

8007-0697

Molecular Formula

C30H24N2O3 (C30 H24 N2 O3)

Compound Name

6-biphenyl-4-yl-10,11-dimethoxy-7,7a-dihydro-12H-isoindolo[2,1-a][1,5]benzodiazepin-12-one

IUPAC name

9-{[11'-biphenyl]-4-yl}-1516-dimethoxy-18-diazatetracyclo[9.7.0.0^{27}.0^{1217}]octadeca-2(7)35812(17)1315-heptaen-18-one

SMILES

COc1ccc(C(C2)N(C3=O)c(cccc4)c4N=C2c(cc2)ccc2-c2ccccc2)c3c1OC

InChI

InChI=1S/C30H24N2O3/c1-34-27-17-16-22-26-18-24(21-14-12-20(13-15-21)19-8-4-3-5-9-19)31-23-10-6-7-11-25(23)32(26)30(33)28(22)29(27)35-2/h3-17,26H,18H2,1-2H3/t26-/m1/s1

InChI Key

RVAOEWRNIYVVTF-AREMUKBSSA-N

MDL Number (MFCD)

MFCD00290006

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.53

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.755

Distribution Coefficient, logD

5.755

Water Solubility, LogSw

-5.84

Polar Surface Area

39.482

Acid Dissociation Constant (pKa)

17.64

Base Dissociation Constant (pKb)

-0.17

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

13.30

8007-0697 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anti-infective Library (19449 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Cancer

References: we are preparing a list of scientific research reports with 8007-0697 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8007-0697?
Check Price and Availability of 8007-0697, 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 8007-0697 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8007-0697
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8007-0697
  • 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 8007-0697 available by request