C893-0690 Screening compound: N~2~-(5-chloro-2-methoxyphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C893-0690 Screening compound: N~2~-(5-chloro-2-methoxyphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C893-0690 Screening compound: N~2~-(5-chloro-2-methoxyphenyl)-7-(4-fluorophenyl)-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 C893-0690
N~2~-(5-chloro-2-methoxyphenyl)-7-(4-fluorophenyl)-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

C893-0690

Molecular Formula

C27H21ClFNO5 (C27 H21 ClFNO5)

Compound Name

N~2~-(5-chloro-2-methoxyphenyl)-7-(4-fluorophenyl)-1,7-dimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

IUPAC name

N-(5-chloro-2-methoxyphenyl)-11-(4-fluorophenyl)-311-dimethyl-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(Nc(cc(cc4)Cl)c4OC)=O)o2)c3C1=O

InChI

InChI=1S/C27H21ClFNO5/c1-14-23-21(34-25(14)26(32)30-18-12-16(28)6-9-20(18)33-3)10-11-22-24(23)19(31)13-27(2,35-22)15-4-7-17(29)8-5-15/h4-12H,13H2,1-3H3,(H,30,32)/t27-/m0/s1

InChI Key

AWDWEQROCUYCAZ-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14807136

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

493.92

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.974

Distribution Coefficient, logD

5.706

Water Solubility, LogSw

-6.45

Polar Surface Area

58.049

Acid Dissociation Constant (pKa)

7.47

Base Dissociation Constant (pKb)

0.04

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

18.50

C893-0690 in Drug Discovery

Included in Screening Libraries

Anticancer Library (62698 compounds)

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Cancer
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C893-0690 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C893-0690?
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What is the minimum amount of C893-0690 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C893-0690
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C893-0690
  • 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 C893-0690 available by request