Y043-3744 Screening compound: (E)-N~1~-[2-(2-furyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-4-hexenamide

Y043-3744 Screening compound: (E)-N~1~-[2-(2-furyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-4-hexenamide
Y043-3744 Screening compound: (E)-N~1~-[2-(2-furyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-4-hexenamide alternative view

Chemical Structure Depiction of ChemDiv screening compound Y043-3744
(E)-N~1~-[2-(2-furyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-4-hexenamide

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

Y043-3744

Molecular Formula

C23H27NO6 (C23 H27 NO6)

Compound Name

(E)-N~1~-[2-(2-furyl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dihydro-5-isobenzofuranyl)-4-methyl-4-hexenamide

IUPAC name

(4E)-N-[2-(furan-2-yl)ethyl]-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-13-dihydro-2-benzofuran-5-yl)-4-methylhex-4-enamide

SMILES

C/C(/CCC(NCCc1ccco1)=O)=C\Cc(c(O)c(c(CO1)c2C)C1=O)c2OC

InChI

InChI=1S/C23H27NO6/c1-14(7-9-19(25)24-11-10-16-5-4-12-29-16)6-8-17-21(26)20-18(13-30-23(20)27)15(2)22(17)28-3/h4-6,12,26H,7-11,13H2,1-3H3,(H,24,25)

InChI Key

HGWCBQKHMSQCQE-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD28051056

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

413.47

Hydrogen Bond Acceptors Count

8.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

7

Partition Coefficient, logP

3.977

Distribution Coefficient, logD

3.976

Water Solubility, LogSw

-4.28

Polar Surface Area

77.797

Acid Dissociation Constant (pKa)

10.27

Base Dissociation Constant (pKb)

-0.75

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

39.13

Y043-3744 in Drug Discovery

Included in Screening Libraries

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

Included in 1.7M Stock Database

References: we are preparing a list of scientific research reports with Y043-3744 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound Y043-3744?
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What is the minimum amount of Y043-3744 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for Y043-3744
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for Y043-3744
  • 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 Y043-3744 available by request