8017-8708 Screening compound: 4-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-benzo[g]chromene-2,5,10-trione

8017-8708 Screening compound: 4-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-benzo[g]chromene-2,5,10-trione
8017-8708 Screening compound: 4-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-benzo[g]chromene-2,5,10-trione alternative view

Chemical Structure Depiction of ChemDiv screening compound 8017-8708
4-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-benzo[g]chromene-2,5,10-trione

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

8017-8708

Molecular Formula

C19H10BrFO4 (C19 H10 BrFO4)

Compound Name

4-(5-bromo-2-fluorophenyl)-3,4-dihydro-2H-benzo[g]chromene-2,5,10-trione

IUPAC name

4-(5-bromo-2-fluorophenyl)-2H3H4H5H10H-naphtho[23-b]pyran-2510-trione

SMILES

O=C(CC1c(cc(cc2)Br)c2F)OC(C(c2c3cccc2)=O)=C1C3=O

InChI

InChI=1S/C19H10BrFO4/c20-9-5-6-14(21)12(7-9)13-8-15(22)25-19-16(13)17(23)10-3-1-2-4-11(10)18(19)24/h1-7,13H,8H2/t13-/m0/s1

InChI Key

RHWMOAZFJLMXNC-ZDUSSCGKSA-N

MDL Number (MFCD)

MFCD06618886

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

401.19

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

0.00

Rotatable Bond Count

1.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

3.969

Distribution Coefficient, logD

3.969

Water Solubility, LogSw

-4.42

Polar Surface Area

47.072

Acid Dissociation Constant (pKa)

18.90

Base Dissociation Constant (pKb)

0.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

10.53

8017-8708 in Drug Discovery

Included in Screening Libraries

Allosteric Kinases Inhibitors Library (23117 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Female
  • Congenital
  • Skin
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with 8017-8708 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 8017-8708?
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What is the minimum amount of 8017-8708 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 8017-8708
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 8017-8708
  • 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 8017-8708 available by request