8018-4747 Screening compound: 3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide

8018-4747 Screening compound: 3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide
8018-4747 Screening compound: 3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4747
3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide

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

8018-4747

Molecular Formula

C26H19FN4O2 (C26 H19 FN4 O2)

Compound Name

3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide

IUPAC name

3-cyano-1-(4-fluorobenzoyl)-2-(pyridin-4-yl)-1H2H3H3aH-pyrrolo[12-a]quinoline-3-carboxamide

SMILES

NC(C(C(C1C(c(cc2)ccc2F)=O)c2ccncc2)(C2N1c(cccc1)c1C=C2)C#N)=O

InChI

InChI=1S/C26H19FN4O2/c27-19-8-5-18(6-9-19)24(32)23-22(17-11-13-30-14-12-17)26(15-28,25(29)33)21-10-7-16-3-1-2-4-20(16)31(21)23/h1-14,21-23H,(H2,29,33)

InChI Key

LYSAZYLDALIYIT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07799992

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

438.46

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

2.854

Distribution Coefficient, logD

2.841

Water Solubility, LogSw

-3.19

Polar Surface Area

76.242

Acid Dissociation Constant (pKa)

9.55

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

15.40

8018-4747 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-4747 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4747?
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What is the minimum amount of 8018-4747 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4747
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4747
  • 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 8018-4747 available by request