1630-1707 Screening compound: 12-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

1630-1707 Screening compound: 12-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one
1630-1707 Screening compound: 12-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one alternative view

Chemical Structure Depiction of ChemDiv screening compound 1630-1707
12-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-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

1630-1707

Molecular Formula

C26H23NO3 (C26 H23 NO3)

Compound Name

12-(2H-1,3-benzodioxol-5-yl)-3,3-dimethyl-1,2,3,4,5,12-hexahydro-5-azatetraphen-1-one

IUPAC name

12-(2H-13-benzodioxol-5-yl)-33-dimethyl-1234512-hexahydro-5-azatetraphen-1-one

SMILES

CC(C)(C1)CC(Nc2c(C3c(cc4)cc5c4OCO5)ccc4ccccc24)=C3C1=O

InChI

InChI=1S/C26H23NO3/c1-26(2)12-19-24(20(28)13-26)23(16-8-10-21-22(11-16)30-14-29-21)18-9-7-15-5-3-4-6-17(15)25(18)27-19/h3-11,23,27H,12-14H2,1-2H3/t23-/m0/s1

InChI Key

HMHYLSJUZAKNBC-QHCPKHFHSA-N

MDL Number (MFCD)

MFCD01151966

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.47

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.461

Distribution Coefficient, logD

5.437

Water Solubility, LogSw

-6.80

Polar Surface Area

38.862

Acid Dissociation Constant (pKa)

8.64

Base Dissociation Constant (pKb)

-2.22

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

26.90

1630-1707 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 1630-1707 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1630-1707?
Check Price and Availability of 1630-1707, 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 1630-1707 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1630-1707
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1630-1707
  • 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 1630-1707 available by request