8013-8155 Screening compound: 1-(9H-fluoren-2-yl)-3-(4-fluoroanilino)-1-propanone

8013-8155 Screening compound: 1-(9H-fluoren-2-yl)-3-(4-fluoroanilino)-1-propanone
8013-8155 Screening compound: 1-(9H-fluoren-2-yl)-3-(4-fluoroanilino)-1-propanone alternative view

Chemical Structure Depiction of ChemDiv screening compound 8013-8155
1-(9H-fluoren-2-yl)-3-(4-fluoroanilino)-1-propanone

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

8013-8155

Molecular Formula

C22H18FNO (C22 H18 FNO)

Compound Name

1-(9H-fluoren-2-yl)-3-(4-fluoroanilino)-1-propanone

IUPAC name

1-(9H-fluoren-2-yl)-3-[(4-fluorophenyl)amino]propan-1-one

SMILES

O=C(CCNc(cc1)ccc1F)c(cc1)cc(C2)c1-c1c2cccc1

InChI

InChI=1S/C22H18FNO/c23-18-6-8-19(9-7-18)24-12-11-22(25)16-5-10-21-17(14-16)13-15-3-1-2-4-20(15)21/h1-10,14,24H,11-13H2

InChI Key

UDNBDVGJGGVBAG-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD03196726

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

331.39

Hydrogen Bond Acceptors Count

2.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

2

Partition Coefficient, logP

5.593

Distribution Coefficient, logD

5.593

Water Solubility, LogSw

-6.00

Polar Surface Area

23.576

Acid Dissociation Constant (pKa)

19.81

Base Dissociation Constant (pKb)

3.34

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

13.64

8013-8155 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 8013-8155 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8013-8155?
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What is the minimum amount of 8013-8155 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8013-8155
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8013-8155
  • 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 8013-8155 available by request