SB25-0416 Screening compound: 7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

SB25-0416 Screening compound: 7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one
SB25-0416 Screening compound: 7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one alternative view

Chemical Structure Depiction of ChemDiv screening compound SB25-0416
7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-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

SB25-0416

Molecular Formula

C25H25N3O2 (C25 H25 N3 O2)

Compound Name

7-[3,4-dihydro-2(1H)-isoquinolinylcarbonyl]-2-phenyl-3,5,6,7,8,9-hexahydro-4H-cyclohepta[d]pyrimidin-4-one

IUPAC name

2-phenyl-7-(1234-tetrahydroisoquinoline-2-carbonyl)-3H4H5H6H7H8H9H-cyclohepta[d]pyrimidin-4-one

SMILES

O=C(C(CC1)CCC(N=C(c2ccccc2)N2)=C1C2=O)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C25H25N3O2/c29-24-21-12-10-19(25(30)28-15-14-17-6-4-5-9-20(17)16-28)11-13-22(21)26-23(27-24)18-7-2-1-3-8-18/h1-9,19H,10-16H2,(H,26,27,29)/t19-/m1/s1

InChI Key

DOXPLYOQHINIDY-LJQANCHMSA-N

MDL Number (MFCD)

MFCD32247405

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

399.49

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

3.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

3.420

Distribution Coefficient, logD

3.064

Water Solubility, LogSw

-3.28

Polar Surface Area

51.503

Acid Dissociation Constant (pKa)

7.30

Base Dissociation Constant (pKb)

3.24

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

32.00

SB25-0416 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

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

MCE-18 Trends in Medicinal Chemistry (51288 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with SB25-0416 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound SB25-0416?
Check Price and Availability of SB25-0416, 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 SB25-0416 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for SB25-0416
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for SB25-0416
  • 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 SB25-0416 available by request