8017-5550 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

8017-5550 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline
8017-5550 Screening compound: 1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-5550
1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

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

8017-5550

Molecular Formula

C28H24FNO4 (C28 H24 FNO4)

Compound Name

1-(3,4-dimethoxyphenyl)-2-(4-fluorophenyl)-8,9-dimethoxypyrrolo[2,1-a]isoquinoline

IUPAC name

1-(34-dimethoxyphenyl)-2-(4-fluorophenyl)-89-dimethoxypyrrolo[21-a]isoquinoline

SMILES

COc(ccc(-c(c(-c(cc1)ccc1F)c1)c2n1ccc(cc1OC)c2cc1OC)c1)c1OC

InChI

InChI=1S/C28H24FNO4/c1-31-23-10-7-19(14-24(23)32-2)27-22(17-5-8-20(29)9-6-17)16-30-12-11-18-13-25(33-3)26(34-4)15-21(18)28(27)30/h5-16H,1-4H3

InChI Key

JRDZEAAAZOFBMF-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03661558

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

457.5

Hydrogen Bond Acceptors Count

4.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.469

Distribution Coefficient, logD

5.469

Water Solubility, LogSw

-5.92

Polar Surface Area

30.460

Acid Dissociation Constant (pKa)

32.92

Base Dissociation Constant (pKb)

2.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

14.30

8017-5550 in Drug Discovery

Included in Screening Libraries

Antiparasite Library (23996 compounds)

Akt-Targeted Library (14764 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic
  • Skin
Agro:
  • Agro
  • Agro
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-5550 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-5550?
Check Price and Availability of 8017-5550, 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 8017-5550 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-5550
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-5550
  • 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 8017-5550 available by request