C893-0856 Screening compound: N~2~-(4-bromo-2-fluorophenyl)-7-ethyl-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C893-0856 Screening compound: N~2~-(4-bromo-2-fluorophenyl)-7-ethyl-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C893-0856 Screening compound: N~2~-(4-bromo-2-fluorophenyl)-7-ethyl-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C893-0856
N~2~-(4-bromo-2-fluorophenyl)-7-ethyl-1,7-dimethyl-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

C893-0856

Molecular Formula

C22H19BrFNO4 (C22 H19 BrFNO4)

Compound Name

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

IUPAC name

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

SMILES

CCC(C)(C1)Oc(ccc2c3c(C)c(C(Nc(ccc(Br)c4)c4F)=O)o2)c3C1=O

InChI

InChI=1S/C22H19BrFNO4/c1-4-22(3)10-15(26)19-17(29-22)8-7-16-18(19)11(2)20(28-16)21(27)25-14-6-5-12(23)9-13(14)24/h5-9H,4,10H2,1-3H3,(H,25,27)/t22-/m0/s1

InChI Key

OYRFTPPJUKVCJD-QFIPXVFZSA-N

MDL Number (MFCD)

MFCD14807170

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

460.3

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

5.432

Distribution Coefficient, logD

4.963

Water Solubility, LogSw

-5.74

Polar Surface Area

50.933

Acid Dissociation Constant (pKa)

7.11

Base Dissociation Constant (pKb)

-1.61

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

27.30

C893-0856 in Drug Discovery

Included in Screening Libraries

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

Adenosine Receptors Targeted Library (19896 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Digestive system
  • Respiratory tract
  • Nervous system
  • Eye
  • Cardiovascular
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C893-0856 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C893-0856?
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What is the minimum amount of C893-0856 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C893-0856
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C893-0856
  • 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 C893-0856 available by request