C893-0547 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-[3-(1-pyrrolidinyl)propyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C893-0547 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-[3-(1-pyrrolidinyl)propyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C893-0547 Screening compound: 7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-[3-(1-pyrrolidinyl)propyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C893-0547
7-(4-chlorophenyl)-1,7-dimethyl-9-oxo-N~2~-[3-(1-pyrrolidinyl)propyl]-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

C893-0547

Molecular Formula

C27H29ClN2O4 (C27 H29 ClN2 O4)

Compound Name

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

IUPAC name

11-(4-chlorophenyl)-311-dimethyl-13-oxo-N-[3-(pyrrolidin-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(NCCCN4CCCC4)=O)o2)c3C1=O

InChI

InChI=1S/C27H29ClN2O4/c1-17-23-21(33-25(17)26(32)29-12-5-15-30-13-3-4-14-30)10-11-22-24(23)20(31)16-27(2,34-22)18-6-8-19(28)9-7-18/h6-11H,3-5,12-16H2,1-2H3,(H,29,32)/t27-/m0/s1

InChI Key

MUBQMDAZZSTENN-MHZLTWQESA-N

MDL Number (MFCD)

MFCD14807116

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

480.99

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

4.700

Distribution Coefficient, logD

1.667

Water Solubility, LogSw

-5.11

Polar Surface Area

56.629

Acid Dissociation Constant (pKa)

13.79

Base Dissociation Constant (pKb)

10.43

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

40.70

C893-0547 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

Anti-infective Library (19449 compounds)

Antiviral HBV Library (10007 compounds)

New Agro Library (44492 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Infections
  • Immune system
  • animal
  • Antiviral
  • Infections
  • Immune system
Agro:
  • Agro

References: we are preparing a list of scientific research reports with C893-0547 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C893-0547?
Check Price and Availability of C893-0547, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C893-0547 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C893-0547
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C893-0547
  • 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 C893-0547 available by request