C795-0466 Screening compound: N~2~-(4-chlorobenzyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C795-0466 Screening compound: N~2~-(4-chlorobenzyl)-1,7,7-trimethyl-9-oxo-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C795-0466 Screening compound: N~2~-(4-chlorobenzyl)-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 C795-0466
N~2~-(4-chlorobenzyl)-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

C795-0466

Molecular Formula

C22H20ClNO4 (C22 H20 ClNO4)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(C1)Oc(ccc2c3c(C)c(C(NCc(cc4)ccc4Cl)=O)o2)c3C1=O

InChI

InChI=1S/C22H20ClNO4/c1-12-18-16(8-9-17-19(18)15(25)10-22(2,3)28-17)27-20(12)21(26)24-11-13-4-6-14(23)7-5-13/h4-9H,10-11H2,1-3H3,(H,24,26)

InChI Key

GKAARYCSRVOHAI-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796916

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

397.86

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

4.367

Distribution Coefficient, logD

4.367

Water Solubility, LogSw

-4.96

Polar Surface Area

52.758

Acid Dissociation Constant (pKa)

10.86

Base Dissociation Constant (pKb)

-2.50

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

27.30

C795-0466 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D

References: we are preparing a list of scientific research reports with C795-0466 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0466?
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What is the minimum amount of C795-0466 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0466
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0466
  • 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 C795-0466 available by request