8018-4750 Screening compound: 1-(4-chlorobenzoyl)-3-cyano-7-fluoro-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide

8018-4750 Screening compound: 1-(4-chlorobenzoyl)-3-cyano-7-fluoro-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide
8018-4750 Screening compound: 1-(4-chlorobenzoyl)-3-cyano-7-fluoro-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 8018-4750
1-(4-chlorobenzoyl)-3-cyano-7-fluoro-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

8018-4750

Molecular Formula

C26H18ClFN4O2 (C26 H18 ClFN4 O2)

Compound Name

1-(4-chlorobenzoyl)-3-cyano-7-fluoro-2-(pyridin-4-yl)-1H,2H,3H,3aH-pyrrolo[1,2-a]quinoline-3-carboxamide

IUPAC name

1-(4-chlorobenzoyl)-3-cyano-7-fluoro-2-(pyridin-4-yl)-1H2H3H3aH-pyrrolo[12-a]quinoline-3-carboxamide

SMILES

NC(C(C(C1C(c(cc2)ccc2Cl)=O)c2ccncc2)(C(C=C2)N1c(cc1)c2cc1F)C#N)=O

InChI

InChI=1S/C26H18ClFN4O2/c27-18-4-1-16(2-5-18)24(33)23-22(15-9-11-31-12-10-15)26(14-29,25(30)34)21-8-3-17-13-19(28)6-7-20(17)32(21)23/h1-13,21-23H,(H2,30,34)

InChI Key

HGRMLWFJJBKCES-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD07799995

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

472.91

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

3.596

Distribution Coefficient, logD

3.579

Water Solubility, LogSw

-4.16

Polar Surface Area

76.242

Acid Dissociation Constant (pKa)

9.16

Base Dissociation Constant (pKb)

5.74

Number of Chiral Centers

4.00

Percent sp3 carbon bonding

15.40

8018-4750 in Drug Discovery

Included in Screening Libraries

3D-Pharmacophore Based Diversity Library (49813 compounds)

Anticancer Library (62698 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer

References: we are preparing a list of scientific research reports with 8018-4750 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8018-4750?
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What is the minimum amount of 8018-4750 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8018-4750
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8018-4750
  • 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 8018-4750 available by request