C893-0646 Screening compound: 7-(4-fluorophenyl)-1,7-dimethyl-N~2~-(2-methylphenyl)-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C893-0646 Screening compound: 7-(4-fluorophenyl)-1,7-dimethyl-N~2~-(2-methylphenyl)-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C893-0646 Screening compound: 7-(4-fluorophenyl)-1,7-dimethyl-N~2~-(2-methylphenyl)-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C893-0646
7-(4-fluorophenyl)-1,7-dimethyl-N~2~-(2-methylphenyl)-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-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

C893-0646

Molecular Formula

C27H22FNO4 (C27 H22 FNO4)

Compound Name

7-(4-fluorophenyl)-1,7-dimethyl-N~2~-(2-methylphenyl)-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

IUPAC name

11-(4-fluorophenyl)-311-dimethyl-N-(2-methylphenyl)-13-oxo-510-dioxatricyclo[7.4.0.0^{26}]trideca-1368-tetraene-4-carboxamide

SMILES

CC(C1)(c(cc2)ccc2F)Oc(ccc2c3c(C)c(C(Nc4c(C)cccc4)=O)o2)c3C1=O

InChI

InChI=1S/C27H22FNO4/c1-15-6-4-5-7-19(15)29-26(31)25-16(2)23-21(32-25)12-13-22-24(23)20(30)14-27(3,33-22)17-8-10-18(28)11-9-17/h4-13H,14H2,1-3H3,(H,29,31)/t27-/m0/s1

InChI Key

SPLJZGIRJLKYLW-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14807128

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

443.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

4.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

5.516

Distribution Coefficient, logD

5.516

Water Solubility, LogSw

-5.89

Polar Surface Area

50.419

Acid Dissociation Constant (pKa)

10.55

Base Dissociation Constant (pKb)

0.45

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C893-0646 in Drug Discovery

Included in Screening Libraries

Anti-Inflammatory Library (24602 compounds)

Anticancer Library (62698 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Immune system
  • Cancer

References: we are preparing a list of scientific research reports with C893-0646 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C893-0646?
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What is the minimum amount of C893-0646 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C893-0646
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C893-0646
  • 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 C893-0646 available by request