E765-0079 Screening compound: N~2~-(4-chlorophenethyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

E765-0079 Screening compound: N~2~-(4-chlorophenethyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
E765-0079 Screening compound: N~2~-(4-chlorophenethyl)-9-hydroxy-1,7,7-trimethyl-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E765-0079
N~2~-(4-chlorophenethyl)-9-hydroxy-1,7,7-trimethyl-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

E765-0079

Molecular Formula

C23H24ClNO4 (C23 H24 ClNO4)

Compound Name

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

IUPAC name

N-[2-(4-chlorophenyl)ethyl]-13-hydroxy-31111-trimethyl-510-dioxatricyclo[7.4.0.0^{26}]trideca-1368-tetraene-4-carboxamide

SMILES

CC(C)(CC1O)Oc(cc2)c1c1c2oc(C(NCCc(cc2)ccc2Cl)=O)c1C

InChI

InChI=1S/C23H24ClNO4/c1-13-19-17(8-9-18-20(19)16(26)12-23(2,3)29-18)28-21(13)22(27)25-11-10-14-4-6-15(24)7-5-14/h4-9,16,26H,10-12H2,1-3H3,(H,25,27)/t16-/m0/s1

InChI Key

UBFMOJFLTLNFMW-INIZCTEOSA-N

MDL Number (MFCD)

MFCD14917250

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.9

Hydrogen Bond Acceptors Count

5.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

5.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.333

Distribution Coefficient, logD

4.333

Water Solubility, LogSw

-4.35

Polar Surface Area

54.968

Acid Dissociation Constant (pKa)

13.51

Base Dissociation Constant (pKb)

-0.20

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

34.80

E765-0079 in Drug Discovery

Included in Screening Libraries

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

GPCR Targeted Library (31838 compounds)

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • GPCR
  • Kinases
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with E765-0079 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E765-0079?
Check Price and Availability of E765-0079, 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 E765-0079 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E765-0079
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E765-0079
  • 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 E765-0079 available by request