C795-0463 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-(3-phenylpropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

C795-0463 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-(3-phenylpropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
C795-0463 Screening compound: 1,7,7-trimethyl-9-oxo-N~2~-(3-phenylpropyl)-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C795-0463
1,7,7-trimethyl-9-oxo-N~2~-(3-phenylpropyl)-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

C795-0463

Molecular Formula

C24H25NO4 (C24 H25 NO4)

Compound Name

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

IUPAC name

31111-trimethyl-13-oxo-N-(3-phenylpropyl)-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(NCCCc4ccccc4)=O)o2)c3C1=O

InChI

InChI=1S/C24H25NO4/c1-15-20-18(11-12-19-21(20)17(26)14-24(2,3)29-19)28-22(15)23(27)25-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12H,7,10,13-14H2,1-3H3,(H,25,27)

InChI Key

UJCBVQXFVWPXPT-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14796914

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

391.47

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.683

Distribution Coefficient, logD

4.683

Water Solubility, LogSw

-4.96

Polar Surface Area

52.600

Acid Dissociation Constant (pKa)

13.01

Base Dissociation Constant (pKb)

-0.10

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

33.30

C795-0463 in Drug Discovery

Included in Screening Libraries

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C795-0463 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C795-0463?
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What is the minimum amount of C795-0463 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C795-0463
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C795-0463
  • 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 C795-0463 available by request