Y030-3297 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(3-iodophenyl)methanone

Y030-3297 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(3-iodophenyl)methanone
Y030-3297 Screening compound: 3,4-dihydro-2(1H)-isoquinolinyl(3-iodophenyl)methanone alternative view

Chemical Structure Depiction of ChemDiv screening compound Y030-3297
3,4-dihydro-2(1H)-isoquinolinyl(3-iodophenyl)methanone

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

Y030-3297

Molecular Formula

C16H14INO (C16 H14 INO)

Compound Name

3,4-dihydro-2(1H)-isoquinolinyl(3-iodophenyl)methanone

IUPAC name

2-(3-iodobenzoyl)-1234-tetrahydroisoquinoline

SMILES

O=C(c1cccc(I)c1)N(CC1)Cc2c1cccc2

InChI

InChI=1S/C16H14INO/c17-15-7-3-6-13(10-15)16(19)18-9-8-12-4-1-2-5-14(12)11-18/h1-7,10H,8-9,11H2

InChI Key

XUURHPZCEGOIJX-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD02859807

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

363.2

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

2.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

3.999

Distribution Coefficient, logD

3.999

Water Solubility, LogSw

-4.19

Polar Surface Area

16.549

Acid Dissociation Constant (pKa)

24.88

Base Dissociation Constant (pKb)

-4.65

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

18.75

Y030-3297 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y030-3297 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y030-3297?
Check Price and Availability of Y030-3297, 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 Y030-3297 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y030-3297
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y030-3297
  • 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 Y030-3297 available by request