1222-0338 Screening compound: 6-pentyl-2-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinoline

1222-0338 Screening compound: 6-pentyl-2-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinoline
1222-0338 Screening compound: 6-pentyl-2-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 1222-0338
6-pentyl-2-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinoline

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

1222-0338

Molecular Formula

C22H27N (C22 H27 N)

Compound Name

6-pentyl-2-[(1E)-2-phenylethenyl]-5,6,7,8-tetrahydroquinoline

IUPAC name

6-pentyl-2-[(1E)-2-phenylethenyl]-5678-tetrahydroquinoline

SMILES

CCCCCC(CC1)Cc2c1nc(/C=C/c1ccccc1)cc2

InChI

InChI=1S/C22H27N/c1-2-3-5-10-19-12-16-22-20(17-19)13-15-21(23-22)14-11-18-8-6-4-7-9-18/h4,6-9,11,13-15,19H,2-3,5,10,12,16-17H2,1H3/t19-/m1/s1

InChI Key

KRSUFFYAWWUPMG-LJQANCHMSA-N

MDL Number (MFCD)

MFCD00807443

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

305.46

Hydrogen Bond Acceptors Count

1.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

1

Partition Coefficient, logP

7.218

Distribution Coefficient, logD

7.204

Water Solubility, LogSw

-6.07

Polar Surface Area

10.499

Acid Dissociation Constant (pKa)

23.16

Base Dissociation Constant (pKb)

5.92

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.90

1222-0338 in Drug Discovery

Included in Screening Libraries

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

?ysteine Targeted Covalent Library (39471 compounds)

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with 1222-0338 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 1222-0338?
Check Price and Availability of 1222-0338, 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 1222-0338 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 1222-0338
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 1222-0338
  • 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 1222-0338 available by request