C795-0457 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C795-0457 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C795-0457 Screening compound: N~2~-(3,4-diethoxyphenethyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0457
N~2~-(3,4-diethoxyphenethyl)-1,7,7-trimethyl-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

C795-0457

Molecular Formula

C27H31NO6 (C27 H31 NO6)

Compound Name

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

IUPAC name

N-[2-(34-diethoxyphenyl)ethyl]-31111-trimethyl-13-oxo-510-dioxatricyclo[7.4.0.0^{26}]trideca-1(9)2(6)37-tetraene-4-carboxamide

SMILES

CCOc(ccc(CCNC(c1c(C)c(c2c(cc3)OC(C)(C)CC2=O)c3o1)=O)c1)c1OCC

InChI

InChI=1S/C27H31NO6/c1-6-31-19-9-8-17(14-22(19)32-7-2)12-13-28-26(30)25-16(3)23-20(33-25)10-11-21-24(23)18(29)15-27(4,5)34-21/h8-11,14H,6-7,12-13,15H2,1-5H3,(H,28,30)

InChI Key

RQHDUKXRTFXOMU-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796911

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

465.55

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

9.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.714

Distribution Coefficient, logD

3.714

Water Solubility, LogSw

-4.49

Polar Surface Area

67.020

Acid Dissociation Constant (pKa)

12.65

Base Dissociation Constant (pKb)

-0.42

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.70

C795-0457 in Drug Discovery

Included in Screening Libraries

Antiviral HBV Library (10007 compounds)

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

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system

References: we are preparing a list of scientific research reports with C795-0457 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0457?
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What is the minimum amount of C795-0457 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0457
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0457
  • 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 C795-0457 available by request