C893-0546 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-(3-piperidinopropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C893-0546 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-(3-piperidinopropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C893-0546 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-(3-piperidinopropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C893-0546
7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-(3-piperidinopropyl)-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

C893-0546

Molecular Formula

C28H31ClN2O4 (C28 H31 ClN2 O4)

Compound Name

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

IUPAC name

11-(4-chlorophenyl)-311-dimethyl-13-oxo-N-[3-(piperidin-1-yl)propyl]-510-dioxatricyclo[7.4.0.0^{26}]trideca-1368-tetraene-4-carboxamide

SMILES

CC(C1)(c(cc2)ccc2Cl)Oc(ccc2c3c(C)c(C(NCCCN4CCCCC4)=O)o2)c3C1=O

InChI

InChI=1S/C28H31ClN2O4/c1-18-24-22(34-26(18)27(33)30-13-6-16-31-14-4-3-5-15-31)11-12-23-25(24)21(32)17-28(2,35-23)19-7-9-20(29)10-8-19/h7-12H,3-6,13-17H2,1-2H3,(H,30,33)/t28-/m0/s1

InChI Key

DJEBWPLYDJGIQP-NDEPHWFRSA-N

MDL Number (MFCD)

MFCD14807115

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

495.02

Hydrogen Bond Acceptors Count

7.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

7.00

Number of Nitrogen and Oxygen Atoms

6

Partition Coefficient, logP

5.064

Distribution Coefficient, logD

2.468

Water Solubility, LogSw

-5.55

Polar Surface Area

56.263

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

10.00

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

42.90

C893-0546 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

MCL1 Targeted Library (12200 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Digestive system
  • Respiratory tract
  • Male
  • Female
  • Hemic and lymphatic

References: we are preparing a list of scientific research reports with C893-0546 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C893-0546?
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What is the minimum amount of C893-0546 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C893-0546
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C893-0546
  • 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 C893-0546 available by request