E765-0235 Screening compound: 9-hydroxy-1,7,7-trimethyl-N~2~-[4-(methylsulfanyl)phenethyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide

E765-0235 Screening compound: 9-hydroxy-1,7,7-trimethyl-N~2~-[4-(methylsulfanyl)phenethyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide
E765-0235 Screening compound: 9-hydroxy-1,7,7-trimethyl-N~2~-[4-(methylsulfanyl)phenethyl]-8,9-dihydro-7H-furo[3,2-f]chromene-2-carboxamide alternative view

Chemical Structure Depiction of ChemDiv screening compound E765-0235
9-hydroxy-1,7,7-trimethyl-N~2~-[4-(methylsulfanyl)phenethyl]-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

E765-0235

Molecular Formula

C24H27NO4S (C24 H27 NO4 S)

Compound Name

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

IUPAC name

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

SMILES

CC(C)(CC1O)Oc(cc2)c1c1c2oc(C(NCCc(cc2)ccc2SC)=O)c1C

InChI

InChI=1S/C24H27NO4S/c1-14-20-18(9-10-19-21(20)17(26)13-24(2,3)29-19)28-22(14)23(27)25-12-11-15-5-7-16(30-4)8-6-15/h5-10,17,26H,11-13H2,1-4H3,(H,25,27)/t17-/m0/s1

InChI Key

VFBWIFHGCTVYCT-KRWDZBQOSA-N

MDL Number (MFCD)

MFCD14917262

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

425.55

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

4.458

Distribution Coefficient, logD

4.458

Water Solubility, LogSw

-4.46

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

37.50

E765-0235 in Drug Discovery

Included in Screening Libraries

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

KRAS-Targeted Library (16000 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Cancer
  • Digestive system
  • Respiratory tract
  • Otorhinolaryngologic
Targets:
  • Kinases

References: we are preparing a list of scientific research reports with E765-0235 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound E765-0235?
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What is the minimum amount of E765-0235 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for E765-0235
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for E765-0235
  • 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 E765-0235 available by request